UCSF

ZINC12505254

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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) -0.92 -0.33 -6.91 3 4 0 72 137.142 1
Ref Reference (pH 7) -0.92 -0.54 -6.97 3 4 0 72 137.142 1
Ref Reference (pH 7) 0.35 1.58 -22.54 3 4 0 71 137.142 1
Ref Reference (pH 7) 0.35 1.37 -27.25 3 4 0 71 137.142 1
Mid Mid (pH 6-8) 0.35 1.32 -36.86 4 4 1 73 138.15 1
Mid Mid (pH 6-8) 0.35 1.53 -33.24 4 4 1 73 138.15 1
Mid Mid (pH 6-8) 0.35 1.14 -51.68 4 4 1 73 138.15 1

Vendor Notes

Note Type Comments Provided By
MP 115-117° Fluorochem
Melting_Point 115-120? Alfa-Aesar
Melting_Point 115-120° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95%+ Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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