In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 20 | Yes |
Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…
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) | 0.99 | 5.48 | -17.95 | 2 | 6 | 0 | 71 | 270.34 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.99 | 6.85 | -60.44 | 3 | 6 | 1 | 75 | 271.348 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.