| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 34 | No |
Popular Name: 4-(4-allyloxy-2-methyl-benzoyl)-3-hydroxy-5-(p-tolyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(4-allyloxy-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) | 4.07 | 12.88 | -57.06 | 0 | 6 | -1 | 83 | 453.518 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 0.76 | -25.37 | 1 | 6 | 0 | 79 | 454.526 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 1.02 | -18.72 | 0 | 6 | 0 | 76 | 454.526 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.51 | 0.88 | -63.46 | 2 | 6 | 1 | 80 | 455.534 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 1.13 | -59.31 | 1 | 6 | 1 | 77 | 455.534 | 8 | ↓ |
