| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[(4-methoxyphenyl)methyl]-1…
| 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) | 1.03 | 2.64 | -44.02 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 4.6 | -91.9 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 4.97 | -105.52 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 6.89 | -201.3 | 5 | 4 | 3 | 46 | 280.436 | 6 | ↓ |
