| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1R)-1-[3-bromo-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]ethanamine (1R)-1-[3-bromo-4-[[5-(trifluoro…
| 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) | 2.67 | 7.25 | -51.19 | 3 | 2 | 1 | 41 | 378.237 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 6.95 | -4.42 | 2 | 2 | 0 | 39 | 377.229 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
