| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 28 | No |
Popular Name: 3-hydroxy-1-phenethyl-5-(4-pyridyl)-4-(2-thienylcarbonyl)-5H-pyrrol-2-one 3-hydroxy-1-phenethyl-5-(4-pyrid…
| 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) | 2.79 | 9.04 | -13.9 | 1 | 5 | 0 | 71 | 390.464 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 9.76 | -19.23 | 0 | 5 | 0 | 67 | 390.464 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 10.04 | -56.94 | 1 | 5 | 1 | 69 | 391.472 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 9 | -66.82 | 2 | 5 | 1 | 72 | 391.472 | 5 | ↓ |
