| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: 1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(3,5-dimethyl-1,2,4-triazo…
| 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) | 1.92 | 8.4 | -43.3 | 2 | 4 | 1 | 47 | 287.412 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 6.94 | -10.39 | 1 | 4 | 0 | 43 | 286.404 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 8.82 | -91.09 | 3 | 4 | 2 | 49 | 288.42 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
