UCSF

ZINC40808692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 13 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) -0.72 -1.47 -49.2 4 5 1 83 201.637 3
Hi High (pH 8-9.5) -0.72 -1.85 -6.78 3 5 0 81 200.629 3

Vendor Notes

Note Type Comments Provided By
MP 248 - 250 Enamine Building Blocks
MP 248...250 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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