| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 17 | Yes |
Popular Name: (3S)-N1-methyl-N1-[(1R,3S)-3-methylcyclohexyl]-N3-propyl-butane-1,3-diamine (3S)-N1-methyl-N1-[(1R,3S)-3-met…
| 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) | 3.52 | 9.29 | -105.62 | 3 | 2 | 2 | 21 | 242.451 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 6.82 | -34.87 | 2 | 2 | 1 | 20 | 241.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 8.25 | -30.98 | 2 | 2 | 1 | 16 | 241.443 | 7 | ↓ |
