| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: (1R)-1-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(2-pyridylsul…
| 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) | 3.89 | 7.98 | -45.46 | 2 | 2 | 1 | 29 | 279.816 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 6.81 | -6.04 | 1 | 2 | 0 | 25 | 278.808 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
