UCSF

ZINC00006785

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: 2-(4-(4-Fluorophenoxy)benzylidene)hydrazinecarboxamide 2-(4-(4-Fluorophenoxy)benzyliden…

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CAS Number: 181144-66-1

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) 3.26 4.15 -10.19 3 5 0 77 273.267 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 180 0.47 Binding ≤ 10μM
SCN9A-1-E Sodium Channel Protein Type IX Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 360 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCN4A_HUMAN P35499 Sodium Channel Protein Type IV Alpha Subunit, Human 180 0.47 Binding ≤ 1μM
SCN9A_HUMAN Q15858 Sodium Channel Protein Type IX Alpha Subunit, Human 360 0.45 Binding ≤ 1μM
SCN4A_HUMAN P35499 Sodium Channel Protein Type IV Alpha Subunit, Human 180 0.47 Binding ≤ 10μM
SCN9A_HUMAN Q15858 Sodium Channel Protein Type IX Alpha Subunit, Human 360 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interaction between L1 and Ankyrins

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

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