In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 11th, 2008 | 33 | No |
Popular Name: 4-[(2S)-3-benzoyl-1-(3-carboxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic 4-[(2S)-3-benzoyl-1-(3-carboxyph…
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) | 3.87 | 11.76 | -194.91 | 0 | 8 | -3 | 141 | 440.387 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 9.76 | -124.51 | 0 | 8 | -2 | 135 | 441.395 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 8.72 | -138.1 | 1 | 8 | -2 | 138 | 441.395 | 5 | ↓ |