| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 17 | Yes |
Popular Name: [3-(1,2,4-triazol-1-ylmethyl)benzothiophen-2-yl]methanamine [3-(1,2,4-triazol-1-ylmethyl)ben…
| 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) | 1.37 | 6.74 | -54.26 | 3 | 4 | 1 | 58 | 245.331 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 6.38 | -10.56 | 2 | 4 | 0 | 57 | 244.323 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
