UCSF

ZINC00121928

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 Yes

Popular Name: BRD-K81957592-001-01-0 BRD-K81957592-001-01-0

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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) 4.32 2.2 -8.86 0 3 0 53 322.433 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM1-2-E Metabotropic Glutamate Receptor 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 4800 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM1_RAT P23385 Metabotropic Glutamate Receptor 1, Rat 4800 0.32 Functional ≤ 10μM

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