In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 19th, 2006 | 29 | No |
Popular Name: 4-benzoyl-3-hydroxy-5-(4-nitrophenyl)-1-thiazol-2-yl-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) | 3.09 | 9.83 | -59.49 | 0 | 8 | -1 | 119 | 406.399 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 9.81 | -25.48 | 0 | 8 | 0 | 113 | 407.407 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 8.76 | -35.05 | 1 | 8 | 0 | 116 | 407.407 | 4 | ↓ |