UCSF

ZINC49088029

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 Yes

Popular Name: N-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-4-methyl-benzamide N-[(1R,2S,5R)-2-isopropyl-5-meth…

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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) 5.23 9.5 -7.91 1 2 0 29 273.42 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPM8-1-E Transient Receptor Potential Cation Channel Subfamily M Member 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPM8_RAT Q8R455 Transient Receptor Potential Cation Channel Subfamily M Member 8, Rat 2200 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

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