| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: 6-bromo-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinolin-3-amine 6-bromo-4-[(3S)-3-(dimethylamino…
| 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) | 2.84 | 7.79 | -84.71 | 4 | 4 | 2 | 48 | 337.265 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 4.96 | -4.42 | 2 | 4 | 0 | 45 | 335.249 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 7.36 | -41.86 | 3 | 4 | 1 | 47 | 336.257 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 5.4 | -32.01 | 3 | 4 | 1 | 47 | 336.257 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
