In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2008 | 29 | No |
Popular Name: (5R)-4-benzoyl-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-nitrophenyl)-5H-pyrrol-2-one (5R)-4-benzoyl-1-(2-dimethylamin…
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) | 2.37 | 10.5 | -75.94 | 1 | 8 | 0 | 111 | 395.415 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 7.96 | -55.92 | 0 | 8 | -1 | 109 | 394.407 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 9.67 | -61.65 | 2 | 8 | 1 | 108 | 396.423 | 7 | ↓ |