UCSF

ZINC12360665

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) 1.25 -0.7 -39.55 0 3 -1 49 163.078 1
Mid Mid (pH 6-8) 0.79 0.43 -19.06 1 3 0 46 164.086 1

Vendor Notes

Note Type Comments Provided By
MP 217-218° Fluorochem
Melting_Point 223-227? Alfa-Aesar
MP 223-227° Matrix Scientific
MP 224 - 226 Enamine Building Blocks
MP 224...226 Enamine Building Blocks
MP 225 - 227 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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