UCSF

ZINC03873822

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 22 No

Popular Name: NPPB NPPB

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107254-86-4 , [107254-86-4]

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) 4.10 10.18 -46.98 1 6 -1 98 299.306 7 ↓

Vendor Notes

Note Type Comments Provided By
Therapy Potent Cl- channel blocker SMDC MicroSource

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 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 10000 0.32 Functional ≤ 10μM

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