UCSF

ZINC36924410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 Yes

Popular Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-sulfonamide 6,7-dimethoxy-1,2,3,4-tetrahydro…

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CAS Number: 1094222-85-1

Other Names:

MFCD11205212

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) 0.12 -0.07 -12.9 2 6 0 82 272.326 3 ↓
Mid Mid (pH 6-8) 0.12 0.42 -43.03 1 6 -1 79 271.318 3 ↓

Vendor Notes

Note Type Comments Provided By
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
CAH7-2-E Carbonic Anhydrase VII (cluster #2 Of 8), Eukaryotic Eukaryotes 5 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 5.4 0.64 Binding ≤ 1μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 5.4 0.64 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Reversible hydration of carbon dioxide

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

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