In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 35 | Yes |
Popular Name: N-(2-cyanoethyl)-5-(2,4-dimethoxyphenyl)-2-phenyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide N-(2-cyanoethyl)-5-(2,4-dimethox…
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) | 2.67 | 11.14 | -18.79 | 0 | 8 | 0 | 93 | 467.529 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 11.61 | -54.97 | 1 | 8 | 1 | 95 | 468.537 | 9 | ↓ |