In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 28 | No |
Popular Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetamide N-[3-chloro-5-(trifluoromethyl)-…
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) | 3.33 | 9.96 | -12.43 | 1 | 5 | 0 | 62 | 427.835 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 8.63 | -42.4 | 0 | 5 | -1 | 69 | 426.827 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.