In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2009 | 20 | Yes |
Popular Name: 1-[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(1-aminocyclohexanecarbonyl…
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) | 1.41 | 4.53 | -64.22 | 3 | 5 | 1 | 68 | 282.408 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 4.27 | -13.99 | 2 | 5 | 0 | 67 | 281.4 | 2 | ↓ |