| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: 1-(2,4-difluorophenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(2,4-difluorophenyl)-N-(4H-1,2…
| 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) | 0.71 | 4.05 | -8.15 | 2 | 4 | 0 | 54 | 224.214 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 4.07 | -10.02 | 2 | 4 | 0 | 54 | 224.214 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.71 | 5.44 | -51.28 | 3 | 4 | 1 | 58 | 225.222 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 5.3 | -37.82 | 2 | 4 | 0 | 56 | 224.214 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
