In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 31 | No |
Popular Name: 3-[(2S)-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2H-pyrrol-1-yl]propanoic 3-[(2S)-2-(2,4-dimethoxyphenyl)-…
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) | 2.38 | 7.74 | -117.92 | 0 | 8 | -2 | 119 | 423.421 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 6.66 | -71.05 | 1 | 8 | -1 | 116 | 424.429 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 7.65 | -55.01 | 0 | 8 | -1 | 113 | 424.429 | 8 | ↓ |