UCSF

ZINC00056538

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 21 Yes

Popular Name: DAPI DAPI

Find On: PubMed — Wikipedia — Google

CAS Number: 28718-90-3

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) 0.58 3.85 -76.3 9 5 2 119 279.347 3 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CDC14_CANAL ChEBI
Notes Dye used in the staining of DNA Apollo Scientific Bioactives
Patent Database Links EP1952792; US2007231809 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-9-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other Other 3 0.57 Functional ≤ 10μM
Z50725-7-O Trypanosoma Brucei Rhodesiense (cluster #7 Of 7), Other Other 18 0.52 Functional ≤ 10μM
Z81135-5-O L6 (Skeletal Muscle Myoblast Cells) (cluster #5 Of 6), Other Other 860 0.40 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 3 0.57 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 17 0.52 Functional ≤ 10μM
Z81135 Z81135 L6 (Skeletal Muscle Myoblast Cells) 860 0.40 ADME/T ≤ 10μM

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