Total 121 sufactants are available. Each sufactant is calulated using DFT at the level of B3LYP(D3)/6-31G*. Bonded and nonbonded parameters of sufactants were described with RESP charge and GAFF forcefield.
| Description | |
|---|---|
| Acyclic_Glucosides | DMG |
| DHEG | |
| NHEG | |
| NMG | |
| Cholesteryl_HemiSuccinate | CHSP |
| CHSD | |
| Glycerol | GMS1 |
| GMS2 | |
| MLN2 | |
| Amine_Oxides | UDAO |
| TRIPA | |
| LAPAO | |
| Thio_Maltosides | BOTM |
| ADDTM | |
| AOTM | |
| BDDTM | |
| AUDTM | |
| BNTM | |
| ADTM | |
| BDTM | |
| BUDTM | |
| ANTM | |
| Sulfates | SDS |
| Maltosides | BOM |
| ATM | |
| BDMHM | |
| BTM | |
| ADDM | |
| BUDM | |
| BCY6M | |
| BPPM | |
| ANM | |
| BCY5M | |
| BCY4M | |
| ADM | |
| ACY3M | |
| ACY6M | |
| AUDM | |
| BNM | |
| BDM | |
| BCY3M | |
| A2UDM | |
| ACY7M | |
| B2UDM | |
| BCY7M | |
| ADMHM | |
| AOM | |
| APPM | |
| BDDM | |
| ACY4MD | |
| ACY5M | |
| Alkyl_PEG | 10G5 |
| C8G5 | |
| NIDP40 | |
| 12G7 | |
| 10G9 | |
| C6G3 | |
| 10G6 | |
| 13G8 | |
| TX114 | |
| C8G4 | |
| C6G4 | |
| C8G6 | |
| 12G8 | |
| 12G9 | |
| C7G4 | |
| TX100 | |
| C6G5 | |
| C7G5 | |
| Ammonio_Propanesulfonates | S312 |
| S310 | |
| S314 | |
| Phosphotidylglycerols | LPPG |
| LMPG | |
| Thio_Glucoside | BHTG |
| BOTG | |
| AHTG | |
| AOTG | |
| NN-Dimethylglycines | DOMG |
| DDMG | |
| Phosphocholines | FS13 |
| FS9 | |
| CFO7 | |
| LPC12 | |
| FS16 | |
| C7DHP | |
| CFO6 | |
| UFOS1 | |
| CFO4 | |
| FS1 | |
| CFO3 | |
| C6DHP | |
| CFO5 | |
| FS10 | |
| FS15 | |
| LC12 | |
| LC14 | |
| Glucosides | BY3G |
| ANG | |
| AOG | |
| ADDG | |
| AC3G | |
| BDDG | |
| BOG | |
| AMHCG | |
| BMHCG | |
| ADG | |
| BNG | |
| BDG | |
| Cetrimonium Bromide | CT10 |
| CT12 | |
| CT13 | |
| CT16 | |
| CT14 | |
| CT15 | |
| CT11 | |
| Amine_Hydroxyls | PLAPAO |
| PTRPAO | |
| PUDAO | |
| PDDAO | |
| PLDAO |