UCSF

ZINC08214360

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 22 No

Popular Name: ARTEMOTIL ARTEMOTIL

Find On: PubMed — Wikipedia — Google

CAS Number: 75887-54-6

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) 3.77 -2.15 -5.89 0 5 0 46 312.406 2 ↓

Vendor Notes

Note Type Comments Provided By
therap antimalarial MicroSource World Drugs

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 4 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1.4 0.56 Functional ≤ 10μM

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