UCSF

ZINC03884497

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) 1.78 3.63 -5.03 1 2 0 29 150.206 1
Ref Reference (pH 7) 1.78 3.66 -7.51 1 2 0 29 150.206 1

Vendor Notes

Note Type Comments Provided By
BP 152°/1.6mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
melting_point 97 - 99 KeyOrganics
MP 97-98° Oakwood Chemical
MP 97-99° Matrix Scientific
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0820997A1; WO2000009500A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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