| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | Yes |
Popular Name: METHANESULFONIC ACID ANILINE METHANESULFONIC ACID ANILINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103-06-0 , [103-06-0] , [26021-90-9]
| 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) | -1.13 | -7.5 | -44.23 | 1 | 4 | -1 | 69 | 186.212 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH12-4-E | Carbonic Anhydrase XII (cluster #4 Of 9), Eukaryotic | Eukaryotes | 6250 | 0.61 | Binding ≤ 10μM |
| CAH9-5-E | Carbonic Anhydrase IX (cluster #5 Of 11), Eukaryotic | Eukaryotes | 5100 | 0.62 | Binding ≤ 10μM |
| P96878-1-B | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial | Bacteria | 8900 | 0.59 | Binding ≤ 10μM |
| Y1284-1-B | Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial | Bacteria | 8670 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 5100 | 0.62 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 6250 | 0.61 | Binding ≤ 10μM |
| P96878_MYCTU | P96878 | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu | 8900 | 0.59 | Binding ≤ 10μM |
| Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 8670 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of gene expression by Hypoxia-inducible Factor | |
| Reversible hydration of carbon dioxide |
No pre-computed analogs available. Try a structural similarity search.