| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 13 | Yes |
Popular Name: 1-(2-thienyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(2-thienyl)-N-(4H-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) | 0.35 | 4.45 | -39.77 | 3 | 4 | 1 | 58 | 195.271 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.35 | 3.11 | -8.72 | 2 | 4 | 0 | 54 | 194.263 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
