| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 22 | Yes |
Popular Name: DNC004966 DNC004966
| 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) | 2.38 | 0.48 | -48.49 | 3 | 8 | -1 | 136 | 359.49 | 15 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 1.15 | -81.58 | 2 | 8 | -2 | 134 | 358.482 | 15 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | -0.19 | -22.21 | 4 | 8 | 0 | 139 | 360.498 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-8-E | Carbonic Anhydrase I (cluster #8 Of 12), Eukaryotic | Eukaryotes | 1350 | 0.37 | Binding ≤ 10μM |
| CAH2-10-E | Carbonic Anhydrase II (cluster #10 Of 15), Eukaryotic | Eukaryotes | 84 | 0.45 | Binding ≤ 10μM |
| CAH9-6-E | Carbonic Anhydrase IX (cluster #6 Of 11), Eukaryotic | Eukaryotes | 32 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 84.2 | 0.45 | Binding ≤ 1μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 32.1 | 0.48 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 1350 | 0.37 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 84.2 | 0.45 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 32.1 | 0.48 | 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 |
