UCSF

ZINC01733341

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Other Names:

MFCD21758424

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) 2.06 -2.24 -6.74 1 2 0 29 153.225 0

Vendor Notes

Note Type Comments Provided By
MP 64 - 66 Enamine Building Blocks
MP 64...66 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-8-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #8 Of 9), Other Other 8400 0.65 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 8100 0.65 Functional ≤ 10μM

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