In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2007 | 36 | No |
Popular Name: 4-(4-ethoxybenzoyl)-1-(6-ethylbenzothiazol-2-yl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one 4-(4-ethoxybenzoyl)-1-(6-ethylbe…
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) | 6.40 | 13.88 | -57.85 | 0 | 6 | -1 | 83 | 497.596 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.85 | 12.88 | -26.49 | 1 | 6 | 0 | 80 | 498.604 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.82 | 13.9 | -15.71 | 0 | 6 | 0 | 77 | 498.604 | 7 | ↓ |