In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2011 | 17 | Yes |
Popular Name: 2-(4-ethyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile 2-(4-ethyl-1,4-diazepan-1-yl)pyr…
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) | 1.38 | 8.36 | -34.79 | 1 | 4 | 1 | 44 | 231.323 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 6.49 | -6.6 | 0 | 4 | 0 | 43 | 230.315 | 2 | ↓ |