| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 29 | No |
Popular Name: 1-(3-dimethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one 1-(3-dimethylaminopropyl)-4-(2,5…
| 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) | 2.27 | 9.43 | -45.25 | 2 | 6 | 1 | 75 | 394.495 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 10.22 | -54.6 | 1 | 6 | 1 | 72 | 394.495 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 9.95 | -110.36 | 3 | 6 | 2 | 76 | 395.503 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 10.51 | -120.61 | 2 | 6 | 2 | 73 | 395.503 | 7 | ↓ |
