| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 29 | Yes |
Popular Name: [6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]-[(4R)-4-phenylazepan-1-yl]methanone [6-(4-methyl-1,4-diazepan-1-yl)-…
| 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) | 3.02 | 12.74 | -47.01 | 1 | 5 | 1 | 41 | 393.555 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 10.23 | -11.21 | 0 | 5 | 0 | 40 | 392.547 | 3 | ↓ |
