| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 13 | Yes |
Popular Name: (1R)-1-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]ethanamine (1R)-1-[5-(2-thienyl)-1H-1,2,4-t…
| 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) | -0.74 | 2.04 | -40.9 | 4 | 4 | 1 | 69 | 195.271 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.74 | 1.67 | -9.41 | 3 | 4 | 0 | 68 | 194.263 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.74 | 1.9 | -40.52 | 3 | 4 | 0 | 68 | 194.263 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
