| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 28 | Yes |
Popular Name: 11-[(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]undecanoic 11-[(5-oxo-1-phenyl-4H-1,2,4-tri…
| 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) | 3.00 | 9.84 | -51.77 | 2 | 8 | -1 | 120 | 387.46 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 7.99 | -97.79 | 1 | 8 | -2 | 123 | 386.452 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 7.88 | -13.99 | 3 | 8 | 0 | 117 | 388.468 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
