In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 27 | No |
Popular Name: (5R)-4-(4-bromobenzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(2-hydroxyethyl)-5H-pyrrol-2-one (5R)-4-(4-bromobenzoyl)-5-(4-eth…
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) | 3.47 | 6.86 | -59.84 | 1 | 5 | -1 | 81 | 429.29 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.92 | 5.76 | -29.61 | 2 | 5 | 0 | 78 | 430.298 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 6.78 | -20.72 | 1 | 5 | 0 | 75 | 430.298 | 6 | ↓ |