| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 18 | Yes |
Popular Name: N-(4H-1,2,4-triazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-(4H-1,2,4-triazol-3-ylmethyl)-…
| 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) | 0.40 | 3.53 | -41.17 | 3 | 5 | 1 | 61 | 264.275 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 3.36 | -35.85 | 2 | 5 | 0 | 60 | 263.267 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 2.33 | -9.69 | 2 | 5 | 0 | 57 | 263.267 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
