UCSF

ZINC64539024

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 Yes

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) 4.83 7.67 -8.43 1 5 0 64 387.361 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCNAA-1-E Sodium Channel Protein Type X Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 21 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCNAA_MOUSE Q6QIY3 Sodium Channel Protein Type 10 Subunit Alpha, Mouse 57 0.36 Binding ≤ 1μM
SCNAA_HUMAN Q9Y5Y9 Sodium Channel Protein Type X Alpha Subunit, Human 21 0.38 Binding ≤ 1μM
SCNAA_RAT Q62968 Sodium Channel Protein Type X Alpha Subunit, Rat 34 0.37 Binding ≤ 1μM
SCNAA_MOUSE Q6QIY3 Sodium Channel Protein Type 10 Subunit Alpha, Mouse 57 0.36 Binding ≤ 10μM
SCNAA_HUMAN Q9Y5Y9 Sodium Channel Protein Type X Alpha Subunit, Human 21 0.38 Binding ≤ 10μM
SCNAA_RAT Q62968 Sodium Channel Protein Type X Alpha Subunit, Rat 34 0.37 Binding ≤ 10μM

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

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