In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 28 | No |
Popular Name: (2R)-3-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one (2R)-3-(1,3-benzodioxole-5-carbo…
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) | 2.23 | 6.89 | -55.28 | 0 | 9 | -1 | 125 | 381.32 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 6.15 | -20.09 | 1 | 9 | 0 | 122 | 382.328 | 4 | ↓ |