UCSF

ZINC02574330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.33 3.54 -45.64 3 2 1 37 166.244 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
BP 93°/5mm Matrix Scientific
purity 95 Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings Corrosive/Irritant Matrix Scientific
Warnings IRRITANT, CORROSIVE Matrix Scientific

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Rings

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