| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2008 | 30 | Yes |
Popular Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methyl-(3-pyridylmethyl)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) | 2.34 | 12.12 | -48.61 | 1 | 6 | 1 | 54 | 408.57 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 10.32 | -10.46 | 0 | 6 | 0 | 53 | 407.562 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 12.55 | -91.9 | 2 | 6 | 2 | 55 | 409.578 | 5 | ↓ |
