UCSF

ZINC02035003

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) 1.87 3.97 -32.35 2 1 1 17 114.212 1

Vendor Notes

Note Type Comments Provided By
BP 143 TCI
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
MP 182 - 184 Enamine Building Blocks
MP 182...184 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
melting_point Oil KeyOrganics
PUBCHEM_PATENT_ID WO1999011677A1 IBM Patent Data

Activity (Go SEA)

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