UCSF

ZINC01751810

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 24 Yes

Popular Name: TCPOBOP TCPOBOP

Find On: PubMed — Wikipedia — Google

CAS Numbers: 76150-91-9 , N/A

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) 6.56 7.22 -4.85 0 4 0 44 402.064 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80936-4-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #4 Of 4), Other Other 50 0.43 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80936 Z80936 HEK293 (Embryonic Kidney Fibroblasts) 50 0.43 ADME/T ≤ 10μM

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