| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 11 | No |
Popular Name: (2E)-3-(3-chloro-1H-1,2,4-triazol-5-yl)prop-2-enoic acid (2E)-3-(3-chloro-1H-1,2,4-triazo…
None
| 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) | 0.29 | 3.36 | -41.32 | 1 | 5 | -1 | 82 | 172.551 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.29 | 3.2 | -93.75 | 0 | 5 | -2 | 80 | 171.543 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
