UCSF

ZINC13742664

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 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) 3.93 7.15 -38.07 4 4 1 65 384.54 8

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 2300 0.28 Binding ≤ 10μM
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 3), Other Other 1000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 2300 0.28 Binding ≤ 10μM
Z104302 Z104302 Glutamate NMDA Receptor 1000 0.30 Functional ≤ 10μM

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