UCSF

ZINC26580034

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 46 No

Popular Name: 4-[3-[4-(2,4-dihydroxyphenyl)-1-hydroxy-6,8-dimethoxy-2-naphthyl]-4-hydroxy-5,7-dimethoxy-1-naphthyl 4-[3-[4-(2,4-dihydroxyphenyl)-1-…

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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) 7.46 2.94 -33.49 6 10 0 158 622.626 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80076-5-O CEM-SS (T-cell Leukemia) (cluster #5 Of 5), Other Other 3900 0.16 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80076 Z80076 CEM-SS (T-cell Leukemia) 3900 0.16 Functional ≤ 10μM

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