UCSF

ZINC13607903

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 Yes

Popular Name: 2-methoxy-5-[(3,4,5-trimethoxyphenyl)amino]phenol 2-methoxy-5-[(3,4,5-trimethoxyph…

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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) 2.90 3.1 -10.74 2 6 0 69 305.33 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80186-6-O K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other Other 2600 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80186 Z80186 K562 (Erythroleukemia Cells) 2600 0.36 Functional ≤ 10μM

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