In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 32 | No |
Popular Name: 4-benzoyl-3-hydroxy-5-(4-nitrophenyl)-1-phenethyl-5H-pyrrol-2-one 4-benzoyl-3-hydroxy-5-(4-nitroph…
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) | 4.14 | 12.95 | -57.22 | 0 | 7 | -1 | 106 | 427.436 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 11.89 | -31.45 | 1 | 7 | 0 | 103 | 428.444 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 1.16 | -27.22 | 0 | 7 | 0 | 100 | 428.444 | 7 | ↓ |