UCSF

ZINC00067762

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 25 Yes

Popular Name: 2-(1-piperidyl)ethylBLAH 2-(1-piperidyl)ethylBLAH

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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) 4.57 -0.56 -44.38 1 4 1 35 331.443 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50651-1-O Vesicular Stomatitis Virus (cluster #1 Of 2), Other Other 5623 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50651 Z50651 Vesicular Stomatitis Virus 1348.96288 0.33 Functional ≤ 10μM

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

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