| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 15 | Yes |
Popular Name: 2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-propanamide 2-amino-N-(5-sulfamoyl-1,3,4-thi…
| 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) | -1.98 | -6.16 | -59.49 | 6 | 8 | 1 | 143 | 252.301 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2-11-E | Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic | Eukaryotes | 9 | 0.75 | Binding ≤ 10μM |
| CAH4-12-E | Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic | Eukaryotes | 9 | 0.75 | Binding ≤ 10μM |
| CAH6-1-E | Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic | Eukaryotes | 9 | 0.75 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2_BOVIN | P00921 | Carbonic Anhydrase II, Bovin | 9 | 0.75 | Binding ≤ 1μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 9 | 0.75 | Binding ≤ 1μM |
| CAH6_BOVIN | P18915 | Carbonic Anhydrase VI, Bovin | 9 | 0.75 | Binding ≤ 1μM |
| CAH2_BOVIN | P00921 | Carbonic Anhydrase II, Bovin | 9 | 0.75 | Binding ≤ 10μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 9 | 0.75 | Binding ≤ 10μM |
| CAH6_BOVIN | P18915 | Carbonic Anhydrase VI, Bovin | 9 | 0.75 | 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 |
