| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 15 | Yes |
Popular Name: (1R,2R)-1-amino-1-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]propan-2-ol (1R,2R)-1-amino-1-[5-(2-thienyl)…
| 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) | -1.38 | -0.09 | -44.5 | 5 | 5 | 1 | 89 | 225.297 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.38 | -0.35 | -7.67 | 4 | 5 | 0 | 88 | 224.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
