UCSF

ZINC04534390

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 32 No

Popular Name: 3-Galloylcatechin 3-Galloylcatechin

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CAS Numbers: 1257-08-5 , 130405-40-2

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) 2.54 -10.21 -20.21 7 10 0 177 442.376 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50136-1-O Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #1 Of 3), Other Other 1000 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50136 Z50136 Plasmodium Falciparum (isolate FcB1 / Columbia) 1000 0.26 Functional ≤ 10μM

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