| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]azepan-2-one (3S)-3-[4-(3-aminopropyl)-1,4-di…
| 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) | -0.42 | 1.63 | -87.76 | 5 | 5 | 2 | 64 | 270.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.42 | -0.51 | -47.61 | 4 | 5 | 1 | 63 | 269.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.42 | 1.57 | -108.24 | 5 | 5 | 2 | 64 | 270.421 | 4 | ↓ |
