UCSF

ZINC13825277

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 20 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) 3.40 5.47 -37.87 3 3 1 45 278.416 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 2867 0.39 Binding ≤ 10μM
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 3), Other Other 6300 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 2867 0.39 Binding ≤ 10μM
Z104302 Z104302 Glutamate NMDA Receptor 6300 0.36 Functional ≤ 10μM

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