| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 28 | No |
Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(p-tolyl)methylene]-5-(4-pyridyl)pyrrolidine-2,3-dione 1-(3-dimethylaminopropyl)-4-[hyd…
| 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) | 1.84 | 9.65 | -78.35 | 1 | 6 | 0 | 78 | 379.46 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 0.62 | -43.84 | 2 | 6 | 1 | 74 | 380.468 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 0.46 | -45.5 | 1 | 6 | 1 | 71 | 380.468 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 0.93 | -116.87 | 3 | 6 | 2 | 76 | 381.476 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 0.73 | -99.56 | 3 | 6 | 2 | 76 | 381.476 | 7 | ↓ |
