| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2006 | 32 | Yes |
Popular Name: 6-(1-adamantyl)-2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}nicotinonitrile 6-(1-adamantyl)-2-{[2-(1-adamant…
| 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) | 6.43 | 1.45 | -9.74 | 1 | 0 | 0 | 53 | 446.66 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 6.43 | 1.61 | -46.54 | 1 | 3 | 1 | 55 | 447.668 | 5 | ↓ |
