UCSF

ZINC38943867

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 35 No

Popular Name: 3,27-Dihydroxy-20(29)-lupen-28-oic acid methyl ester 3,27-Dihydroxy-20(29)-lupen-28-o…

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CAS Numbers: 263844-79-7 , [263844-79-7]

Other Names:

MFCD17214837

N/A

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) 6.48 9.78 -6.96 2 4 0 67 486.737 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TOP2A-2-E DNA Topoisomerase II Alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 8900 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TOP2A_HUMAN P11388 DNA Topoisomerase II Alpha, Human 8900 0.20 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G0 and Early G1

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

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