| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: 4-(3-aminopropyl)-N-phenyl-1,4-diazepane-1-carboxamide 4-(3-aminopropyl)-N-phenyl-1,4-d…
| 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) | 0.93 | 6.19 | -115.6 | 5 | 5 | 2 | 64 | 278.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 5.81 | -41.78 | 4 | 5 | 1 | 63 | 277.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 4.45 | -50.88 | 4 | 5 | 1 | 63 | 277.392 | 4 | ↓ |
