In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: 1-prop-2-ynyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine 1-prop-2-ynyl-N-([1,2,4]triazolo…
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) | 1.01 | 6.79 | -52.86 | 2 | 5 | 1 | 50 | 270.36 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.01 | 5.59 | -13.4 | 1 | 5 | 0 | 45 | 269.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.