| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2005 | 27 | No |
Popular Name: 1-(3-aminopropyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-5-(3-pyridyl)pyrrolidine-2,3-dione 1-(3-aminopropyl)-4-[hydroxy-(4-…
| 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) | 0.27 | 4.18 | -90.85 | 3 | 7 | 0 | 110 | 367.405 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | -3.84 | -50.85 | 4 | 7 | 1 | 107 | 368.413 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | -3.96 | -52.69 | 3 | 7 | 1 | 104 | 368.413 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | -3.53 | -125.15 | 5 | 7 | 2 | 108 | 369.421 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.27 | -3.73 | -112.97 | 5 | 7 | 2 | 108 | 369.421 | 7 | ↓ |
