| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 29 | No |
Popular Name: 4-benzoyl-5-(4-bromophenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-benzoyl-5-(4-bromophenyl)-3-hy…
| 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) | 3.35 | 10.74 | -39.91 | 0 | 5 | -1 | 73 | 448.296 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | -1.5 | -24.04 | 0 | 5 | 0 | 67 | 449.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 8.49 | -29.5 | 1 | 5 | 0 | 71 | 449.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 8.77 | -50.16 | 2 | 5 | 1 | 72 | 450.312 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | -1.39 | -50.31 | 1 | 5 | 1 | 68 | 450.312 | 5 | ↓ |
