| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[4-(2-pyridyl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(2-pyridyl)-1,4-diazep…
| 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) | 1.24 | 5.87 | -90.89 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 6.9 | -105.65 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 5.55 | -42.19 | 3 | 4 | 1 | 47 | 263.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 7.25 | -183.42 | 5 | 4 | 3 | 49 | 265.425 | 5 | ↓ |
