In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2007 | 26 | No |
Popular Name: 1-allyl-5-(4-bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-5H-pyrrol-2-one 1-allyl-5-(4-bromophenyl)-4-(4-c…
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) | 4.51 | 10.15 | -52.6 | 0 | 4 | -1 | 60 | 431.693 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 9.7 | -20.24 | 0 | 4 | 0 | 54 | 432.701 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.96 | 8.72 | -26.24 | 1 | 4 | 0 | 58 | 432.701 | 4 | ↓ |