| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2006 | 29 | Yes |
Popular Name: ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate ethyl 2-{[6-(1-adamantyl)-3-cyan…
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CAS Number: 625369-71-3
| 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) | 5.77 | 4.37 | -8.45 | 0 | 4 | 0 | 62 | 424.488 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.77 | 4.53 | -43.49 | 1 | 4 | 1 | 64 | 425.496 | 7 | ↓ |
