In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2010 | 20 | Yes |
Popular Name: 1-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(5-chloro-1,3-dimethyl-pyra…
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) | -0.17 | 5.47 | -14.96 | 0 | 6 | 0 | 58 | 298.774 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.