In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2004 | 26 | No |
Popular Name: 2-[(S)-(4-bromophenyl)-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyl]malononitrile 2-[(S)-(4-bromophenyl)-[(4R)-5-k…
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) | 4.70 | 10.06 | -16.26 | 0 | 5 | 0 | 80 | 407.271 | 4 | ↓ |
Ref Reference (pH 7) | 4.70 | 10.57 | -14.22 | 0 | 5 | 0 | 80 | 407.271 | 4 | ↓ |