| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | Yes |
Popular Name: N-(4H-1,2,4-triazol-3-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine 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) | 1.42 | 5.13 | -46.16 | 3 | 5 | 1 | 67 | 273.238 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 3.77 | -8.79 | 2 | 5 | 0 | 63 | 272.23 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 4.98 | -39.48 | 2 | 5 | 0 | 66 | 272.23 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
