UCSF

ZINC40587755

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 21 No

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) 2.89 6.33 -25.35 0 3 0 43 330.808 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q7JHP9-1-E Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q7JHP9_MACMU Q7JHP9 Transporter, Macmu 14 0.52 Binding ≤ 1μM
Q7JHP9_MACMU Q7JHP9 Transporter, Macmu 14 0.52 Binding ≤ 10μM

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