In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 26 | No |
Popular Name: 1-allyl-4-(4-bromobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 1-allyl-4-(4-bromobenzoyl)-5-(4-…
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) | 4.00 | 9.35 | -52.4 | 0 | 4 | -1 | 60 | 415.238 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.44 | 1.25 | -17.24 | 1 | 4 | 0 | 57 | 416.246 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 0.98 | -10.09 | 0 | 4 | 0 | 54 | 416.246 | 5 | ↓ |