In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 23 | Yes |
Popular Name: N-[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-2-(3,5-dimethylisoxazol-4-yl)acetamide N-[5-(2-chlorophenyl)-4H-1,2,4-t…
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) | 2.47 | 8.15 | -12.49 | 2 | 7 | 0 | 100 | 331.763 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 7.41 | -46.58 | 1 | 7 | -1 | 103 | 330.755 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.