In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 26 | No |
Popular Name: 4-(2,5-dimethylbenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(2-thienyl)-5H-pyrrol-2-one 4-(2,5-dimethylbenzoyl)-3-hydrox…
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) | 3.09 | 8.35 | -63.92 | 0 | 5 | -1 | 70 | 370.45 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.53 | -1.03 | -27.33 | 1 | 5 | 0 | 66 | 371.458 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.50 | -0.73 | -22.43 | 0 | 5 | 0 | 63 | 371.458 | 6 | ↓ |