UCSF

ZINC29564349

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 47 No

Popular Name: (E)-5-amino-N-[(1S)-2-[[(1S)-1-benzyl-2-[[4-(dimethylamino)-4-oxo-butyl]-methyl-amino]-2-oxo-ethyl]- (E)-5-amino-N-[(1S)-2-[[(1S)-1-b…

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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) 3.59 16.09 -72.94 3 9 1 109 642.865 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 21 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 21 0.23 Functional ≤ 10μM

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