UCSF

ZINC00898477

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 17 No

Popular Name: Dehydrocostus lactone Dehydrocostus lactone

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CAS Numbers: 16836-47-8 , 477-43-0 , 74299-48-2

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) 2.29 3.13 -7.99 0 2 0 26 230.307 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80682-6-O A549 (Lung Carcinoma Cells) (cluster #6 Of 11), Other Other 10000 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80682 Z80682 A549 (Lung Carcinoma Cells) 10000 0.41 Functional ≤ 10μM

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