In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 31 | Yes |
Popular Name: 2-(4-bromophenyl)-N-[[2-(3-thienyl)-7-(trifluoromethoxy)-3-quinolyl]methyl]ethanamine 2-(4-bromophenyl)-N-[[2-(3-thien…
None
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) | 6.47 | 10.83 | -8.49 | 1 | 3 | 0 | 34 | 507.375 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.47 | 12.36 | -65.68 | 2 | 3 | 1 | 39 | 508.383 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.