In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 33 | No |
Popular Name: (5S)-4-benzoyl-3-hydroxy-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one (5S)-4-benzoyl-3-hydroxy-1-(3-mo…
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) | 2.46 | 8.5 | -55.42 | 0 | 9 | -1 | 119 | 450.471 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 9.75 | -64.12 | 2 | 9 | 1 | 117 | 452.487 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 10.84 | -75.19 | 1 | 9 | 0 | 120 | 451.479 | 8 | ↓ |