UCSF

ZINC02558154

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 No

Popular Name: Tanshinone I Tanshinone I

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54693-68-4 , 568-73-0 , [568-73-0]

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) 3.83 9.39 -12.49 0 3 0 47 276.291 0 ↓

Vendor Notes

Note Type Comments Provided By
Target Others Selleck Chemicals
Target RAF proto-oncogene serine/threonine-protein kinase(P04049)&Tumor necrosis factor(P01375)&Interleukin-6(P05231) Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81020-3-O HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other Other 6300 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 6300 0.35 Functional ≤ 10μM

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