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-phenyl-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) | 4.54 | 10.88 | -58.14 | 0 | 7 | -1 | 98 | 495.621 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.54 | 10.13 | -15.63 | 1 | 7 | 0 | 95 | 496.629 | 8 | ↓ |