In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 17 | Yes |
Popular Name: 3-(2-methoxy-3-pyridyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 3-(2-methoxy-3-pyridyl)-5,6,7,8-…
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) | 0.21 | 2.48 | -62.49 | 2 | 6 | 1 | 69 | 232.267 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.21 | 1.12 | -15.59 | 1 | 6 | 0 | 65 | 231.259 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.