In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 28 | No |
Popular Name: 5-(4-bromophenyl)-3-hydroxy-1-(3-hydroxypropyl)-4-(4-methoxybenzoyl)-5H-pyrrol-2-one 5-(4-bromophenyl)-3-hydroxy-1-(3…
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) | 2.88 | 6.23 | -41.71 | 1 | 6 | -1 | 90 | 445.289 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 4.85 | -28.64 | 2 | 6 | 0 | 87 | 446.297 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.30 | -3.13 | -22.23 | 1 | 6 | 0 | 83 | 446.297 | 7 | ↓ |