UCSF

ZINC35259676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 Yes

CAS Numbers: 105967-11-1 , [105967-11-1]

Other Names:

MFCD21607789

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) -0.56 -6.7 -13.72 4 8 0 125 370.099 2
Hi High (pH 8-9.5) -0.10 -8.46 -51.45 3 8 -1 128 369.091 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6200 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 4400 0.42 Functional ≤ 10μM

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

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