In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 19 | Yes |
Popular Name: 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoline 5-(5,6,7,8-tetrahydro-[1,2,4]tri…
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) | 1.36 | 5.99 | -61.75 | 2 | 5 | 1 | 60 | 252.301 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 4.63 | -13.33 | 1 | 5 | 0 | 56 | 251.293 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.