| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2008 | 27 | Yes |
Popular Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-[[(1R)-1,2-dimethylpropyl]amino]-3-pyridyl]methanone (4-cyclohexyl-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) | 3.39 | 10.95 | -40.41 | 2 | 5 | 1 | 50 | 373.565 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 9.15 | -7.65 | 1 | 5 | 0 | 48 | 372.557 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 11.42 | -85.18 | 3 | 5 | 2 | 51 | 374.573 | 5 | ↓ |
