| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 25 | Yes |
Popular Name: N-(2-bromo-4-sulfamoyl-phenyl)-2,3,4,5,6-pentafluoro-benzamide N-(2-bromo-4-sulfamoyl-phenyl)-2…
| 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) | 2.79 | 2.36 | -10.96 | 3 | 5 | 0 | 89 | 445.163 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 0.6 | -38.45 | 2 | 5 | -1 | 96 | 444.155 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-5-E | Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic | Eukaryotes | 1870 | 0.32 | Binding ≤ 10μM |
| CAH2-6-E | Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic | Eukaryotes | 156 | 0.38 | Binding ≤ 10μM |
| CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 865 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 156 | 0.38 | Binding ≤ 1μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 865 | 0.34 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 1870 | 0.32 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 156 | 0.38 | Binding ≤ 10μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 865 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
