In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 21 | No |
Popular Name: (2E)-2-cyano-2-[3-(4-ethylphenyl)-4-oxo-thiazolidin-2-ylidene]-N-methyl-acetamide (2E)-2-cyano-2-[3-(4-ethylphenyl…
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) | 1.73 | 6.27 | -12.69 | 1 | 5 | 0 | 73 | 301.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 4.01 | -43.16 | 0 | 5 | -1 | 80 | 300.363 | 3 | ↓ |