In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 20 | Yes |
Popular Name: 4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzamide 4-[(3-methyl-6,8-dihydro-5H-[1,2…
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) | -0.47 | 3.28 | -20.84 | 2 | 6 | 0 | 77 | 271.324 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.47 | 5.52 | -67.75 | 3 | 6 | 1 | 78 | 272.332 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.