| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 38 | No |
Popular Name: 4-(4-benzyloxy-2-methyl-benzoyl)-3-hydroxy-5-(p-tolyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(4-benzyloxy-2-methyl-benzoyl)…
| 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) | 5.02 | 14.55 | -44.33 | 0 | 6 | -1 | 83 | 503.578 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.46 | 12.77 | -32.27 | 1 | 6 | 0 | 80 | 504.586 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.43 | 14.2 | -24.7 | 0 | 6 | 0 | 77 | 504.586 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.43 | 14.48 | -50.4 | 1 | 6 | 1 | 78 | 505.594 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.46 | 13.05 | -52.6 | 2 | 6 | 1 | 81 | 505.594 | 7 | ↓ |
