| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 20 | Yes |
Popular Name: 3-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[(2-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) | 0.99 | 3.24 | -44.14 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 4.62 | -33.97 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 7.11 | -193.24 | 5 | 4 | 3 | 46 | 280.436 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 5.27 | -86 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
