| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(3R)-3-(trifluoromethyl)-1-piperidyl]ethanamine N-[(4-bromo-2-thienyl)methyl]-2-…
| 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) | 3.86 | 6.83 | -46.39 | 2 | 2 | 1 | 20 | 372.274 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 5.47 | -2.98 | 1 | 2 | 0 | 15 | 371.266 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 7.7 | -41.77 | 2 | 2 | 1 | 16 | 372.274 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 9.05 | -131.21 | 3 | 2 | 2 | 21 | 373.282 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
