In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2007 | 32 | No |
Popular Name: 3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(4-propoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one 3-hydroxy-1-(5-methylisoxazol-3-…
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) | 4.29 | 11.3 | -64.7 | 0 | 7 | -1 | 96 | 431.468 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.74 | 10.68 | -25.3 | 1 | 7 | 0 | 93 | 432.476 | 6 | ↓ |