| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2007 | 35 | No |
Popular Name: 3-hydroxy-1-(3-methoxypropyl)-4-[4-(m-tolylmethoxy)benzoyl]-5-(3-pyridyl)-5H-pyrrol-2-one 3-hydroxy-1-(3-methoxypropyl)-4-…
| 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) | 3.47 | 10.45 | -61.75 | 0 | 7 | -1 | 92 | 471.533 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 9.35 | -31.75 | 1 | 7 | 0 | 89 | 472.541 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 10.37 | -24.06 | 0 | 7 | 0 | 86 | 472.541 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.92 | 9.63 | -68.08 | 2 | 7 | 1 | 90 | 473.549 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 10.65 | -59.92 | 1 | 7 | 1 | 87 | 473.549 | 10 | ↓ |
