UCSF

ZINC00001890

Annotations

Vendors

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) 1.86 2.94 -8.03 1 2 0 37 150.177 2

Vendor Notes

Note Type Comments Provided By
MP 147 - 149 Enamine Building Blocks
MP 147...149 Enamine Building Blocks
Melting_Point 148-151? Alfa-Aesar
MP 148-151o C Indofine
Melting_Point 148-151° Alfa-Aesar
MP 150 TCI
MP 36-38 °C(lit.) Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% APIChem
Therapy gonadotropic hormone inhibitor SMDC Pharmakon
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Alkaline Hydroxides & methanol Indofine
PUBCHEM_PATENT_ID US4704396 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.