| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: 1-isopropyl-N-(4H-1,2,4-triazol-3-ylmethyl)piperidin-4-amine 1-isopropyl-N-(4H-1,2,4-triazol-…
| 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) | 0.15 | 4.57 | -35.98 | 3 | 5 | 1 | 58 | 224.332 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 5.74 | -110.94 | 4 | 5 | 2 | 63 | 225.34 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
