| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 35 | No |
Popular Name: (5S)-4-(4-butoxy-2-methyl-benzoyl)-3-hydroxy-5-(p-tolyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(4-butoxy-2-methyl-benzoy…
| 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) | 4.86 | 13.52 | -62.54 | 0 | 6 | -1 | 83 | 469.561 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.31 | 11.4 | -26.93 | 1 | 6 | 0 | 80 | 470.569 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 12.73 | -20.29 | 0 | 6 | 0 | 77 | 470.569 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.31 | 11.69 | -55.48 | 2 | 6 | 1 | 81 | 471.577 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | 13.05 | -52.18 | 1 | 6 | 1 | 78 | 471.577 | 9 | ↓ |
