UCSF

ZINC08221109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 18 No

CAS Number: 21852-80-2

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) 5.99 2.36 -5.05 1 1 0 20 244.378 8

Vendor Notes

Note Type Comments Provided By
Target G2/mitotic-specific cyclin-B1(P14635)&Cyclin-A2(P20248) Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50594-7-O Mus Musculus (cluster #7 Of 9), Other Other 4800 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50594 Z50594 Mus Musculus 4800 0.41 Functional ≤ 10μM

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