| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: (1R)-1-[3-chloro-4-(4-fluorophenyl)sulfanyl-phenyl]ethanamine (1R)-1-[3-chloro-4-(4-fluorophen…
| 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) | 2.54 | 7.89 | -48.6 | 3 | 1 | 1 | 28 | 282.791 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 7.59 | -3.08 | 2 | 1 | 0 | 26 | 281.783 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
