| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2006 | 24 | Yes |
Popular Name: N-(3-sulfamoylphenyl)-4-tert-butyl-benzenesulfonamide N-(3-sulfamoylphenyl)-4-tert-but…
| 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) | 3.08 | 1.6 | -15.17 | 3 | 6 | 0 | 106 | 368.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 1.72 | -48.28 | 2 | 6 | -1 | 108 | 367.472 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-5-E | Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic | Eukaryotes | 9620 | 0.29 | Binding ≤ 10μM |
| CAH2-6-E | Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic | Eukaryotes | 203 | 0.39 | Binding ≤ 10μM |
| CYNT-1-B | Carbonic Anhydrase (cluster #1 Of 3), Bacterial | Bacteria | 318 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 318 | 0.38 | Binding ≤ 1μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 203 | 0.39 | Binding ≤ 1μM |
| CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 318 | 0.38 | Binding ≤ 10μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 9620 | 0.29 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 203 | 0.39 | 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 |
