| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 28 | Yes |
Popular Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(4-pyridyl)pyridine-3-carbonitrile 2-[2-(1-adamantyl)-2-oxo-ethyl]s…
| 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) | 4.05 | 11.71 | -13.58 | 0 | 4 | 0 | 67 | 389.524 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 11.91 | -51.6 | 1 | 4 | 1 | 68 | 390.532 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 11.99 | -56.51 | 1 | 4 | 1 | 68 | 390.532 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 12.19 | -127.65 | 2 | 4 | 2 | 69 | 391.54 | 5 | ↓ |
