| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: (1S)-1-(3-chloro-4-pyrimidin-2-ylsulfanyl-phenyl)-N-methyl-ethanamine (1S)-1-(3-chloro-4-pyrimidin-2-y…
| 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) | 2.97 | 7.09 | -49.27 | 2 | 3 | 1 | 42 | 280.804 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 5.92 | -7.32 | 1 | 3 | 0 | 38 | 279.796 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
