UCSF

ZINC66156886

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 24 Yes

Popular Name: 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridyl)ethyl]acetamide 2-(4-tert-butylphenyl)-N-[(1R)-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) 3.94 8.13 -8.93 1 4 0 51 326.44 6 ↓
Lo Low (pH 4.5-6) 3.94 8.3 -38 2 4 1 52 327.448 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1I-1-E Voltage-gated T-type Calcium Channel Alpha-1I Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1I_HUMAN Q9P0X4 Voltage-gated T-type Calcium Channel Alpha-1I Subunit, Human 5 0.48 Binding ≤ 1μM
CAC1I_HUMAN Q9P0X4 Voltage-gated T-type Calcium Channel Alpha-1I Subunit, Human 5 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
NCAM1 interactions

Rings

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

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