| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 29 | No |
Popular Name: 1-(2-diethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one 1-(2-diethylaminoethyl)-4-(4-flu…
| 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) | 2.03 | 8.42 | -53.49 | 2 | 6 | 1 | 75 | 398.458 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 9.06 | -65.57 | 1 | 6 | 1 | 72 | 398.458 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 8.69 | -107.48 | 3 | 6 | 2 | 76 | 399.466 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.45 | 9.34 | -123.52 | 2 | 6 | 2 | 73 | 399.466 | 8 | ↓ |
