UCSF

ZINC38557962

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 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) 5.81 9.46 -54.93 2 4 -1 81 471.702 1
Lo Low (pH 4.5-6) 5.81 7.48 -6.86 3 4 0 78 472.71 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGM-1-E Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic Eukaryotes 6250 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGM_RABIT P00489 Glycogen Phosphorylase, Muscle Form, Rabit 6250 0.21 Binding ≤ 10μM

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