UCSF

ZINC08765047

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 31 No

Popular Name: oleandrigenin oleandrigenin

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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) 2.26 -0.1 -13.28 2 6 0 93 432.557 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80682-3-O A549 (Lung Carcinoma Cells) (cluster #3 Of 11), Other Other 520 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80682 Z80682 A549 (Lung Carcinoma Cells) 360 0.29 Functional ≤ 10μM

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