| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: 8-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinolin-5-amine 8-[[(3R)-3-(dimethylamino)pyrrol…
| 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) | 1.58 | 4.72 | -28.88 | 3 | 4 | 1 | 47 | 271.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.7 | -36.88 | 3 | 4 | 1 | 47 | 271.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 5.05 | -78.33 | 4 | 4 | 2 | 48 | 272.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 7.12 | -98.7 | 4 | 4 | 2 | 48 | 272.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 7.52 | -183.74 | 5 | 4 | 3 | 49 | 273.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
