In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 25 | Yes |
Popular Name: 5-(azepan-1-yl)-N-methyl-N-(2-pyridylmethyl)-[1,2,5]oxadiazolo[3,4-e]pyrazin-6-amine 5-(azepan-1-yl)-N-methyl-N-(2-py…
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) | 2.58 | -2.61 | -8.22 | 0 | 8 | 0 | 84 | 339.403 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | -2.55 | -38.94 | 1 | 8 | 1 | 85 | 340.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.