In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 24th, 2009 | 19 | No |
Popular Name: tetradecyl tetradecyl
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) | 5.55 | 7.03 | -37.27 | 1 | 4 | -1 | 67 | 292.465 | 14 | ↓ |
Mid Mid (pH 6-8) | 5.55 | 6.54 | -9.9 | 2 | 4 | 0 | 69 | 293.473 | 14 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1-8-E | Carbonic Anhydrase I (cluster #8 Of 12), Eukaryotic | Eukaryotes | 150 | 0.50 | Binding ≤ 10μM |
CAH2-10-E | Carbonic Anhydrase II (cluster #10 Of 15), Eukaryotic | Eukaryotes | 87 | 0.52 | Binding ≤ 10μM |
CAH9-6-E | Carbonic Anhydrase IX (cluster #6 Of 11), Eukaryotic | Eukaryotes | 15 | 0.58 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 150 | 0.50 | Binding ≤ 1μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 87 | 0.52 | Binding ≤ 1μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 15 | 0.58 | Binding ≤ 1μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 150 | 0.50 | Binding ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 87 | 0.52 | Binding ≤ 10μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 15 | 0.58 | 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 |