In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 35 | No |
Popular Name: (2R)-3-[4-(azepan-1-ylsulfonyl)benzoyl]-1-butyl-4-hydroxy-2-(4-pyridyl)-2H-pyrrol-5-one (2R)-3-[4-(azepan-1-ylsulfonyl)b…
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) | 3.25 | 9.08 | -55.95 | 0 | 8 | -1 | 111 | 496.609 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 8.33 | -17.32 | 1 | 8 | 0 | 108 | 497.617 | 8 | ↓ |