| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: N-[2-(3,5-dimethylphenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(3,5-dimethylphenoxy)ethyl]…
| 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) | 0.84 | 1.67 | -10.08 | 3 | 7 | 0 | 100 | 276.296 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | -0.88 | -49.93 | 2 | 7 | -1 | 103 | 275.288 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 0.21 | -23.76 | 3 | 7 | 0 | 104 | 276.296 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
