| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2006 | 29 | No |
Popular Name: 4-benzoyl-1-(3-diethylaminopropyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one 4-benzoyl-1-(3-diethylaminopropy…
| 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) | 2.14 | 8.76 | -45.85 | 2 | 6 | 1 | 75 | 394.495 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 9.43 | -55.62 | 1 | 6 | 1 | 72 | 394.495 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 9.04 | -106.71 | 3 | 6 | 2 | 76 | 395.503 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 9.71 | -120.62 | 2 | 6 | 2 | 73 | 395.503 | 9 | ↓ |
