UCSF

ZINC00057917

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) 2.68 -0.75 -7.6 1 3 0 47 240.258 1

Vendor Notes

Note Type Comments Provided By
SOLUBILITY .; Soluble in Methanol or Acetone Indofine
APPEARANCE .; White crystals Indofine
MP 219 TCI
MP 219-220o C Indofine
M.P. 220-221 C Indofine
Melting_Point ca 220? dec. Alfa-Aesar
Melting_Point ca 220° dec. Alfa-Aesar
SOLUBILITY Soluble in Methanol or acetone Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 3300 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 3300 0.43 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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