In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 25 | Yes |
Popular Name: 2,3,4,5,6-pentafluoro-N-(2-fluoro-4-sulfamoyl-phenyl)benzamide 2,3,4,5,6-pentafluoro-N-(2-fluor…
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) | 2.14 | 1.72 | -11.5 | 3 | 5 | 0 | 89 | 384.257 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1-5-E | Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic | Eukaryotes | 760 | 0.34 | Binding ≤ 10μM |
CAH2-13-E | Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic | Eukaryotes | 15 | 0.44 | Binding ≤ 10μM |
CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 185 | 0.38 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 760 | 0.34 | Binding ≤ 1μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 15 | 0.44 | Binding ≤ 1μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 185 | 0.38 | Binding ≤ 1μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 760 | 0.34 | Binding ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 15 | 0.44 | Binding ≤ 10μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 185 | 0.38 | 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 |