UCSF

ZINC35287405

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) 0.34 0.28 -46.19 4 4 1 66 175.252 4
Hi High (pH 8-9.5) 0.34 -0.02 -5.47 3 4 0 64 174.244 4
Hi High (pH 8-9.5) 1.06 5.58 -14.92 1 7 0 89 283.28 4

Vendor Notes

Note Type Comments Provided By
MP 40 - 42 Enamine Building Blocks
MP 40...42 Enamine Building Blocks
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.