UCSF

ZINC03875139

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 28 Yes

Popular Name: TMB-8 TMB-8

Find On: PubMed — Wikipedia — Google

CAS Number: 53464-72-5

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) 5.08 12.59 -38.32 1 6 1 58 396.548 16 ↓

Vendor Notes

Note Type Comments Provided By
MP 94 TCI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 5012 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3981.07171 0.27 Functional ≤ 10μM

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