UCSF

ZINC04785180

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 31 Yes

Popular Name: N-benzyl-N-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethyl]furan-2-carboxamide N-benzyl-N-[2-(2,2-dimethyl-4-ph…

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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) 5.16 12.94 -9.33 0 4 0 43 417.549 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 120 0.31 Binding ≤ 1μM
ICMT_HUMAN O60725 Isoprenylcysteine Carboxyl Methyltransferase, Human 120 0.31 Binding ≤ 10μM

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