In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 19 | Yes |
Popular Name: 1-methyl-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]piperidin-4-amine 1-methyl-N-[2-([1,2,4]triazolo[4…
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) | 1.25 | 7.41 | -49.14 | 2 | 5 | 1 | 47 | 260.365 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 8.7 | -124.25 | 3 | 5 | 2 | 51 | 261.373 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 6.28 | -57.23 | 2 | 5 | 1 | 50 | 260.365 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.