UCSF

ZINC03780812

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 24 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) 3.67 2.46 -13.02 0 5 0 72 329.396 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ST1E1-1-E Estrogen Sulfotransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST1E1_BOVIN P19217 Estrogen Sulfotransferase, Bovin 4300 0.31 Binding ≤ 10μM

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