UCSF

ZINC53313435

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 30 Yes

Popular Name: N-[(3-methoxyphenyl)methyl]-1-[(1R)-1-(1-naphthyl)ethyl]piperidine-4-carboxamide N-[(3-methoxyphenyl)methyl]-1-[(…

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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) 4.77 12.26 -45.38 2 4 1 43 403.546 6 ↓
Hi High (pH 8-9.5) 4.77 10.44 -10.14 1 4 0 42 402.538 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100499-1-O SARS Coronavirus (cluster #1 Of 2), Other Other 9700 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100499 Z100499 SARS Coronavirus 9700 0.23 Functional ≤ 10μM

Rings

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

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