In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 21 | Yes |
Popular Name: 8-bromo-N,2-dimethyl-N-(1-methyl-4-piperidyl)quinolin-4-amine 8-bromo-N,2-dimethyl-N-(1-methyl…
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) | 3.90 | 10.73 | -77.2 | 2 | 3 | 2 | 22 | 350.304 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 10.37 | -43.46 | 1 | 3 | 1 | 21 | 349.296 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.