In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2007 | 31 | No |
Popular Name: 4-(4-bromobenzoyl)-5-(2-chlorophenyl)-3-hydroxy-1-phenethyl-5H-pyrrol-2-one 4-(4-bromobenzoyl)-5-(2-chloroph…
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) | 5.62 | 13.1 | -52.99 | 0 | 4 | -1 | 60 | 495.78 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.07 | 12.03 | -25.26 | 1 | 4 | 0 | 58 | 496.788 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.04 | 13.04 | -14.92 | 0 | 4 | 0 | 54 | 496.788 | 6 | ↓ |