UCSF

ZINC45339646

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 13 Yes

Popular Name: DNC014876 DNC014876

Find On: PubMed — Wikipedia — Google

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) 0.63 4.51 -51.27 3 3 0 68 185.267 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999021824A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.78 Binding ≤ 10μM
O77773-1-E Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 706 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
O77773_PIG O77773 Voltage-dependent Calcium Channel Alpha2delta Subunit, Pig 55 0.78 Binding ≤ 1μM
O77773_PIG O77773 Voltage-dependent Calcium Channel Alpha2delta Subunit, Pig 55 0.78 Binding ≤ 10μM

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

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