| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 13 | Yes |
Popular Name: N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine N-(4H-1,2,4-triazol-3-ylmethyl)t…
| 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) | -0.57 | 2.34 | -38.86 | 3 | 5 | 1 | 67 | 183.235 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.57 | 2.16 | -33.53 | 2 | 5 | 0 | 66 | 182.227 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.57 | 1.15 | -8.49 | 2 | 5 | 0 | 63 | 182.227 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
