| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 12 | Yes |
4-(hydroxymethyl)benzene-1-sulfonamide
4-Hydroxymethyl-benzenesulfonamide
| 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) | -0.03 | -3.21 | -11.97 | 3 | 4 | 0 | 80 | 187.22 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYNT-1-B | Carbonic Anhydrase (cluster #1 Of 3), Bacterial | Bacteria | 876 | 0.71 | Binding ≤ 10μM |
| Y1284-1-B | Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial | Bacteria | 9560 | 0.59 | Binding ≤ 10μM |
| B5SU02-2-E | Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic | Eukaryotes | 768 | 0.71 | Binding ≤ 10μM |
| C0IX24-1-E | Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 642 | 0.72 | Binding ≤ 10μM |
| CAH1-5-E | Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic | Eukaryotes | 55 | 0.85 | Binding ≤ 10μM |
| CAH12-1-E | Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic | Eukaryotes | 220 | 0.78 | Binding ≤ 10μM |
| CAH14-1-E | Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic | Eukaryotes | 3840 | 0.63 | Binding ≤ 10μM |
| CAH15-2-E | Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 4560 | 0.62 | Binding ≤ 10μM |
| CAH2-6-E | Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic | Eukaryotes | 80 | 0.83 | Binding ≤ 10μM |
| CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 560 | 0.73 | Binding ≤ 10μM |
| CAH5A-1-E | Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic | Eukaryotes | 9300 | 0.59 | Binding ≤ 10μM |
| CAH5B-1-E | Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic | Eukaryotes | 7450 | 0.60 | Binding ≤ 10μM |
| CAH6-7-E | Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic | Eukaryotes | 6680 | 0.60 | Binding ≤ 10μM |
| CAH7-1-E | Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic | Eukaryotes | 60 | 0.84 | Binding ≤ 10μM |
| CAH9-9-E | Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic | Eukaryotes | 21 | 0.90 | Binding ≤ 10μM |
| CAN-1-F | Carbonic Anhydrase (cluster #1 Of 3), Fungal | Fungi | 8970 | 0.59 | Binding ≤ 10μM |
| Q5AJ71-1-F | Carbonic Anhydrase (cluster #1 Of 4), Fungal | Fungi | 80 | 0.83 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 768 | 0.71 | Binding ≤ 1μM |
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 383 | 0.75 | Binding ≤ 1μM |
| C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 642 | 0.72 | Binding ≤ 1μM |
| CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 870 | 0.71 | Binding ≤ 1μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 55 | 0.85 | Binding ≤ 1μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 125 | 0.81 | Binding ≤ 1μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 560 | 0.73 | Binding ≤ 1μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 560 | 0.73 | Binding ≤ 1μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 21 | 0.90 | Binding ≤ 1μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 60 | 0.84 | Binding ≤ 1μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 220 | 0.78 | Binding ≤ 1μM |
| B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 768 | 0.71 | Binding ≤ 10μM |
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 383 | 0.75 | Binding ≤ 10μM |
| C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 642 | 0.72 | Binding ≤ 10μM |
| CAN_YEAST | P53615 | Carbonic Anhydrase, Yeast | 8970 | 0.59 | Binding ≤ 10μM |
| CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 870 | 0.71 | Binding ≤ 10μM |
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 4560 | 0.62 | Binding ≤ 10μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 55 | 0.85 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 125 | 0.81 | Binding ≤ 10μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 560 | 0.73 | Binding ≤ 10μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 560 | 0.73 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 21 | 0.90 | Binding ≤ 10μM |
| CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 9300 | 0.59 | Binding ≤ 10μM |
| CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 7450 | 0.60 | Binding ≤ 10μM |
| CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 6680 | 0.60 | Binding ≤ 10μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 60 | 0.84 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 220 | 0.78 | Binding ≤ 10μM |
| CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 3840 | 0.63 | Binding ≤ 10μM |
| Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 9560 | 0.59 | 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 |
No pre-computed analogs available. Try a structural similarity search.