In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2006 | 31 | No |
Popular Name: 5-(4-butoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one 5-(4-butoxyphenyl)-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) | 2.84 | 9.08 | -51.9 | 0 | 7 | -1 | 92 | 423.489 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.28 | -1.34 | -29.22 | 1 | 7 | 0 | 88 | 424.497 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.25 | -1.1 | -21.67 | 0 | 7 | 0 | 85 | 424.497 | 11 | ↓ |