| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(3,5-dimethyl-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) | 1.66 | 6.51 | -48.22 | 3 | 4 | 1 | 58 | 291.375 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 6.13 | -8.75 | 2 | 4 | 0 | 57 | 290.367 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 6.94 | -91.97 | 4 | 4 | 2 | 60 | 292.383 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
