| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 26th, 2007 | 35 | No |
Popular Name: 3-hydroxy-1-(3-methoxypropyl)-4-[4-(o-tolylmethoxy)benzoyl]-5-(4-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) | 3.40 | 10.57 | -40.36 | 0 | 7 | -1 | 92 | 471.533 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | -0.41 | -22.59 | 0 | 7 | 0 | 85 | 472.541 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 9.52 | -30.45 | 1 | 7 | 0 | 89 | 472.541 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.84 | 9.8 | -70.89 | 2 | 7 | 1 | 90 | 473.549 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | -0.3 | -61.75 | 1 | 7 | 1 | 87 | 473.549 | 10 | ↓ |
