| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 34 | No |
Popular Name: 3-hydroxy-4-(4-isobutoxy-2-methyl-benzoyl)-5-phenyl-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-2-methy…
| 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) | 4.10 | 11.98 | -62.65 | 0 | 6 | -1 | 83 | 455.534 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 0.23 | -19.14 | 0 | 6 | 0 | 76 | 456.542 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 10.5 | -27.04 | 1 | 6 | 0 | 80 | 456.542 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.51 | 0.35 | -51.97 | 1 | 6 | 1 | 77 | 457.55 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 10.8 | -55.81 | 2 | 6 | 1 | 81 | 457.55 | 7 | ↓ |
