| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]butan-1-amine 4-[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) | 1.31 | 5.81 | -88.47 | 4 | 4 | 2 | 45 | 293.455 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 5.4 | -97.81 | 4 | 4 | 2 | 45 | 293.455 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 7.66 | -192.36 | 5 | 4 | 3 | 46 | 294.463 | 7 | ↓ |
