UCSF

ZINC06566565

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 32 No

Popular Name: N,N'-DIBENZYL-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE N,N'-DIBENZYL-1,4,10,13-TETRAOXA…

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CAS Number: 69703-25-9

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) 2.59 10.94 -86.16 2 6 2 45 444.616 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 84 TCI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81331-2-O SW-620 (Colon Adenocarcinoma Cells) (cluster #2 Of 6), Other Other 6000 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81331 Z81331 SW-620 (Colon Adenocarcinoma Cells) 6000 0.23 Functional ≤ 10μM

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