| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone [4-(3-aminopropyl)-1,4-diazepan-…
| 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) | 0.17 | 5.53 | -113.21 | 4 | 5 | 2 | 62 | 293.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 5.15 | -39.82 | 3 | 5 | 1 | 60 | 292.403 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 3.74 | -50.03 | 3 | 5 | 1 | 60 | 292.403 | 5 | ↓ |
