In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 26 | No |
Popular Name: (2R)-3-(1,3-benzodioxole-5-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-methyl-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) | 3.05 | 6.79 | -54.02 | 0 | 6 | -1 | 79 | 415.219 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 6.05 | -14.02 | 1 | 6 | 0 | 76 | 416.227 | 3 | ↓ |