In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 20 | No |
Popular Name: 3-[3-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[3-[(5-ethyl-4H-1,2,4-triazol-…
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) | 0.91 | 4.17 | -11.17 | 2 | 7 | 0 | 91 | 297.384 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 3.97 | -47.47 | 1 | 7 | -1 | 89 | 296.376 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.