In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 17 | Yes |
Popular Name: 2-[[4-methyl-5-(4-methyl-1H-imidazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-(4-methyl-1H-imid…
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) | -0.17 | 6.73 | -49.75 | 1 | 7 | -1 | 100 | 252.279 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.17 | 7.2 | -72.92 | 2 | 7 | 0 | 101 | 253.287 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.