In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 11th, 2008 | 32 | No |
Popular Name: 3-[(2R)-3-benzoyl-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-3-benzoyl-2-(4-ethylphen…
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) | 4.88 | 12.61 | -134.08 | 0 | 6 | -2 | 101 | 425.44 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.32 | 10.59 | -88.9 | 1 | 6 | -1 | 98 | 426.448 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 11.58 | -74.41 | 0 | 6 | -1 | 95 | 426.448 | 6 | ↓ |