In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2007 | 32 | No |
Popular Name: 4-(3-ethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-pyridyl)-5H-pyrrol-2-one 4-(3-ethoxybenzoyl)-3-hydroxy-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) | 1.37 | 6.59 | -54.15 | 2 | 8 | 1 | 93 | 438.504 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.79 | 7.24 | -64.57 | 1 | 8 | 1 | 90 | 438.504 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.82 | 6.54 | -126.87 | 3 | 8 | 2 | 95 | 439.512 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.79 | 7.52 | -128.41 | 2 | 8 | 2 | 91 | 439.512 | 8 | ↓ |