In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2004 | 17 | Yes |
Popular Name: 2-methyl-4-({[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazole 2-methyl-4-({[5-(trifluoromethyl…
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) | 1.79 | 4.52 | -11.4 | 1 | 4 | 0 | 54 | 280.3 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 4.36 | -38.68 | 0 | 4 | -1 | 53 | 279.292 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 4.44 | -7.93 | 1 | 4 | 0 | 54 | 280.3 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.