UCSF

ZINC01680023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Popular Name: 2-Aminoresorcinol 2-Aminoresorcinol

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CAS Numbers: 3163-15-3 , 634-60-6 , [3163-15-3] , [634-60-6]

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) 0.89 -3.13 -5.09 4 3 0 66 125.127 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SUIS-3-E Sucrase-isomaltase (cluster #3 Of 3), Eukaryotic Eukaryotes 9 1.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SUIS_RAT P23739 Sucrase-isomaltase, Rat 8.5 1.26 Binding ≤ 1μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 4200 0.84 Binding ≤ 10μM

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

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