In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2006 | 24 | No |
Popular Name: 4-(4-chlorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one 4-(4-chlorobenzoyl)-5-(4-fluorop…
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) | 3.22 | 8.08 | -52.81 | 0 | 4 | -1 | 60 | 344.749 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 1.46 | -18.28 | 1 | 4 | 0 | 57 | 345.757 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 0.94 | -10.01 | 0 | 4 | 0 | 54 | 345.757 | 3 | ↓ |