In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 19 | Yes |
Popular Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(2,6-dichlorophenyl)methyl]-3…
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) | 1.98 | 7.11 | -12.25 | 0 | 4 | 0 | 34 | 297.189 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 9.36 | -44.12 | 1 | 4 | 1 | 35 | 298.197 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.