| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: 4-(3-aminopropyl)-N-ethyl-1,4-diazepane-1-carboxamide 4-(3-aminopropyl)-N-ethyl-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) | 0.16 | 3.32 | -118.99 | 5 | 5 | 2 | 64 | 230.356 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 2.94 | -45.09 | 4 | 5 | 1 | 63 | 229.348 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 1.51 | -51.14 | 4 | 5 | 1 | 63 | 229.348 | 4 | ↓ |
