In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 17 | Yes |
Popular Name: 3-(5-fluoro-2-methyl-phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(5-fluoro-2-methyl-phenyl)-5,6…
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) | 1.64 | 6.18 | -55.52 | 2 | 4 | 1 | 47 | 233.27 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 4.81 | -9.63 | 1 | 4 | 0 | 43 | 232.262 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.