| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 30 | No |
Popular Name: (5S)-4-(4-chlorobenzoyl)-1-(3-diethylaminopropyl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one (5S)-4-(4-chlorobenzoyl)-1-(3-di…
| 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) | 2.87 | 10 | -67.09 | 1 | 6 | 0 | 78 | 427.932 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 8.89 | -54.94 | 2 | 6 | 1 | 75 | 428.94 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 9.85 | -54.21 | 1 | 6 | 1 | 72 | 428.94 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 9.18 | -123.49 | 3 | 6 | 2 | 76 | 429.948 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 10.15 | -119.05 | 2 | 6 | 2 | 73 | 429.948 | 9 | ↓ |
