| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 29 | No |
Popular Name: 3-hydroxy-1-(3-morpholinopropyl)-5-(4-pyridyl)-4-(2-thienylcarbonyl)-5H-pyrrol-2-one 3-hydroxy-1-(3-morpholinopropyl)…
| 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) | 1.13 | -2.48 | -54.56 | 2 | 7 | 1 | 84 | 414.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | -2.6 | -64.63 | 1 | 7 | 1 | 81 | 414.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | -2.74 | -118.93 | 3 | 7 | 2 | 85 | 415.515 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.55 | -2.49 | -117.79 | 2 | 7 | 2 | 82 | 415.515 | 7 | ↓ |
