In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 18 | No |
Popular Name: 3-(2-chloropyrimidin-4-yl)sulfanyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 3-(2-chloropyrimidin-4-yl)sulfan…
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) | 2.46 | 7.46 | -16.59 | 0 | 5 | 0 | 57 | 281.772 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.