| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 18 | No |
Popular Name: (2R)-2-aminohexadecan-1-ol (2R)-2-aminohexadecan-1-ol
| 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) | 5.54 | 7.09 | -37.43 | 4 | 2 | 1 | 48 | 258.47 | 14 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 6.7 | -3.02 | 3 | 2 | 0 | 46 | 257.462 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 69 | 0.56 | Functional ≤ 10μM |
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 98 | 0.55 | Functional ≤ 10μM |
| Z81072-7-O | Jurkat (Acute Leukemic T-cells) (cluster #7 Of 10), Other | Other | 7000 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 7000 | 0.40 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 68.8 | 0.56 | Functional ≤ 10μM |
