UCSF

ZINC49708319

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 34 No

Popular Name: (1S,2R,4aS,6aS,6aR,6bR,8aR,10S,11S,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5, (1S,2R,4aS,6aS,6aR,6bR,8aR,10S,1…

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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) 5.87 9.24 -52.01 2 4 -1 81 471.702 1 ↓
Lo Low (pH 4.5-6) 5.87 7.47 -6.9 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 1100 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGM_RABIT P00489 Glycogen Phosphorylase, Muscle Form, Rabit 1100 0.25 Binding ≤ 10μM

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