| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 29 | No |
Popular Name: 4-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-1-(2-diethyl…
| 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) | 2.55 | 9.29 | -52.01 | 2 | 6 | 1 | 75 | 414.913 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 9.96 | -63.84 | 1 | 6 | 1 | 72 | 414.913 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 10.24 | -121.98 | 2 | 6 | 2 | 73 | 415.921 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 9.24 | -120.44 | 3 | 6 | 2 | 76 | 415.921 | 7 | ↓ |
