In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2007 | 32 | No |
Popular Name: 3-hydroxy-4-(3-methoxybenzoyl)-1-(3-morpholinopropyl)-5-(4-pyridyl)-5H-pyrrol-2-one 3-hydroxy-4-(3-methoxybenzoyl)-1…
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) | 1.27 | 6.43 | -51.47 | 2 | 8 | 1 | 93 | 438.504 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.68 | 7.09 | -61.06 | 1 | 8 | 1 | 90 | 438.504 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 7.37 | -126.43 | 2 | 8 | 2 | 91 | 439.512 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 6.71 | -112.62 | 3 | 8 | 2 | 95 | 439.512 | 8 | ↓ |