In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2012 | 18 | Yes |
Popular Name: N-(3-chloro-4-cyano-phenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(3-chloro-4-cyano-phenyl)-5-me…
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) | 1.72 | 4.34 | -10.61 | 2 | 5 | 0 | 82 | 260.684 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.37 | -14.3 | 2 | 5 | 0 | 82 | 260.684 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.