UCSF

ZINC04284435

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 11 No

Popular Name: Benzenesulfohydroxamic Acid Benzenesulfohydroxamic Acid

Find On: PubMed — Wikipedia — Google

CAS Number: 599-71-3

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 0.69 -1.68 -10.71 2 4 0 66 173.193 2 ↓
Hi High (pH 8-9.5) 0.69 -0.65 -48.64 1 4 -1 69 172.185 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 - 127 Enamine Building Blocks
MP 125...127 Enamine Building Blocks
MP 126 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 26 0.97 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 74 0.91 Binding ≤ 10μM
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 1030 0.76 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 26 0.97 Binding ≤ 1μM
CAH4_BOVIN Q95323 Carbonic Anhydrase IV, Bovin 74 0.91 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 26 0.97 Binding ≤ 10μM
CAH4_BOVIN Q95323 Carbonic Anhydrase IV, Bovin 74 0.91 Binding ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 1030 0.76 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.