UCSF

ZINC17654916

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2008 34 No

Popular Name: TLP TLP

Find On: PubMed — Wikipedia — Google

CAS Number: 83519-04-4

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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80224-10-O MCF7 (Breast Carcinoma Cells) (cluster #10 Of 14), Other Other 2000 0.23 Functional ≤ 10μM
Z80682-6-O A549 (Lung Carcinoma Cells) (cluster #6 Of 11), Other Other 10000 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80682 Z80682 A549 (Lung Carcinoma Cells) 10000 0.21 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 2000 0.23 Functional ≤ 10μM

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

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