UCSF

ZINC01842775

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 16 Yes

Popular Name: EFAROXAN HYDROCHLORIDE EFAROXAN HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89197-00-2 , 89197-32-0

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) 2.49 4.85 -28.91 2 3 1 35 217.292 2 ↓

Vendor Notes

Note Type Comments Provided By
Therapy insulin secretagogue, alpha2 adrenorecetor antagonist SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-2-E Nischarin (cluster #2 Of 4), Eukaryotic Eukaryotes 52 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NISCH_HUMAN Q9Y2I1 Nischarin, Human 52.3600437 0.64 Binding ≤ 1μM
NISCH_HUMAN Q9Y2I1 Nischarin, Human 52.3600437 0.64 Binding ≤ 10μM

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