In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 24 | Yes |
Popular Name: 3-isopropyl-7-[(2-phenyltriazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-isopropyl-7-[(2-phenyltriazol-…
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) | 1.20 | 9.7 | -59.79 | 1 | 7 | 1 | 66 | 324.412 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 7.46 | -19.34 | 0 | 7 | 0 | 65 | 323.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.