UCSF

ZINC01723988

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 No

Popular Name: 1-oxido-2-phenyl-indol-1-ium-3-one 1-oxido-2-phenyl-indol-1-ium-3-one

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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) 1.42 7.43 -15.39 0 3 0 43 223.231 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 186 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50136-1-O Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #1 Of 3), Other Other 889 0.50 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50136 Z50136 Plasmodium Falciparum (isolate FcB1 / Columbia) 889 0.50 Functional ≤ 10μM

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