| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 21 | Yes |
Popular Name: (1R)-N-methyl-N-[(1S)-1-methylbutyl]-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine (1R)-N-methyl-N-[(1S)-1-methylbu…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.48 | 7.64 | -135.17 | 4 | 2 | 2 | 32 | 322.44 | 8 | ↓ |
| Hi High (pH 8-9.5) | 6.48 | 7.3 | -34.77 | 3 | 2 | 1 | 30 | 321.432 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.48 | 6.87 | -46.98 | 3 | 2 | 1 | 31 | 321.432 | 8 | ↓ |
