| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | Yes |
Popular Name: 3-[4-[(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[(5-chloro-2-methoxy-phenyl…
| 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) | 1.64 | 3.75 | -43.6 | 3 | 4 | 1 | 43 | 312.865 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 7.62 | -195.79 | 5 | 4 | 3 | 46 | 314.881 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 5.52 | -107.1 | 4 | 4 | 2 | 45 | 313.873 | 6 | ↓ |
