| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 21 | Yes |
Popular Name: (2S)-N-[4-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)propanamide (2S)-N-[4-(aminomethyl)phenyl]-2…
| 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) | 0.82 | 3.85 | -89.85 | 5 | 5 | 2 | 64 | 292.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 4.03 | -87.98 | 5 | 5 | 2 | 64 | 292.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 1.98 | -52.12 | 4 | 5 | 1 | 63 | 291.419 | 4 | ↓ |
