UCSF

ZINC64348912

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2011 24 No

Popular Name: AH-5158A AH-5158A

Find On: PubMed — Wikipedia — Google

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) 2.50 0.41 -50.68 6 5 1 101 329.42 8 ↓
Ref Reference (pH 7) 2.50 0.34 -54.47 6 5 0 101 329.42 8 ↓
Hi High (pH 8-9.5) 2.50 -0.62 -8.22 5 5 0 97 328.412 8 ↓
Hi High (pH 8-9.5) 2.50 -0.68 -8 5 5 0 97 328.412 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 10000 0.29 Functional ≤ 10μM

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

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