| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2009 | 21 | No |
Popular Name: hexadecyl hexadecyl
None
| 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) | 6.56 | 8.59 | -37.21 | 1 | 4 | -1 | 67 | 320.519 | 16 | ↓ |
| Mid Mid (pH 6-8) | 6.56 | 8.1 | -9.87 | 2 | 4 | 0 | 69 | 321.527 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2-10-E | Carbonic Anhydrase II (cluster #10 Of 15), Eukaryotic | Eukaryotes | 97 | 0.47 | Binding ≤ 10μM |
| CAH9-6-E | Carbonic Anhydrase IX (cluster #6 Of 11), Eukaryotic | Eukaryotes | 22 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 97 | 0.47 | Binding ≤ 1μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 22 | 0.51 | Binding ≤ 1μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 97 | 0.47 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 22 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Regulation of gene expression by Hypoxia-inducible Factor | |
| Reversible hydration of carbon dioxide |
