| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 21 | Yes |
Popular Name: 2-[4-(8-bromo-2-methyl-4-quinolyl)piperazin-1-yl]ethanol 2-[4-(8-bromo-2-methyl-4-quinoly…
| 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) | 2.74 | 4.68 | -25.65 | 2 | 4 | 1 | 41 | 351.268 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 4.33 | -7.37 | 1 | 4 | 0 | 40 | 350.26 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 6.98 | -83.07 | 3 | 4 | 2 | 42 | 352.276 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
