In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 30 | No |
Popular Name: (5S)-4-benzoyl-5-(2,3-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-benzoyl-5-(2,3-dimethoxyp…
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 | 8.6 | -73.17 | 1 | 7 | 0 | 83 | 410.47 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 6.06 | -59.23 | 0 | 7 | -1 | 82 | 409.462 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 7.78 | -48.98 | 2 | 7 | 1 | 81 | 411.478 | 8 | ↓ |