In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 21 | Yes |
Popular Name: 7-[2-(3,5-dimethylphenoxy)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[2-(3,5-dimethylphenoxy)ethyl]…
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) | 1.82 | 7.56 | -14.67 | 0 | 5 | 0 | 43 | 286.379 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.82 | 9.85 | -54.16 | 1 | 5 | 1 | 44 | 287.387 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.