In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2007 | 31 | No |
Popular Name: 4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-thiazol-2-yl-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-5-(3-ethoxy-…
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) | 3.52 | 7.59 | -52.34 | 1 | 7 | -1 | 103 | 455.899 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.97 | 6.69 | -25.67 | 2 | 7 | 0 | 100 | 456.907 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 7.66 | -18.32 | 1 | 7 | 0 | 97 | 456.907 | 6 | ↓ |