UCSF

ZINC00813401

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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) 1.00 2.94 -7.77 2 3 0 52 177.232 1
Lo Low (pH 4.5-6) 1.00 3.41 -86.57 4 3 2 54 179.248 1
Lo Low (pH 4.5-6) 1.00 3.2 -31.86 3 3 1 53 178.24 1
Lo Low (pH 4.5-6) 1.00 3.15 -29.59 3 3 1 53 178.24 1

Vendor Notes

Note Type Comments Provided By
MP 135 - 137 Enamine Building Blocks
MP 135...137 Enamine Building Blocks
MP 164-166° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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