| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2008 | 21 | Yes |
Popular Name: ethyl [(5-cyano-2,3'-bipyridin-6-yl)thio]acetate ethyl [(5-cyano-2,3'-bipyridin-6…
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CAS Number: 118948-02-0
| 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) | 2.40 | 7.91 | -12.29 | 0 | 5 | 0 | 76 | 299.355 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 8.09 | -45.76 | 1 | 5 | 1 | 77 | 300.363 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 8.19 | -52.42 | 1 | 5 | 1 | 77 | 300.363 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 8.37 | -116.94 | 2 | 5 | 2 | 78 | 301.371 | 6 | ↓ |
