UCSF

ZINC40994055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 17 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) 1.17 4.13 -46.38 3 3 1 50 249.359 3
Mid Mid (pH 6-8) 1.17 3.81 -6.4 2 3 0 48 248.351 3

Vendor Notes

Note Type Comments Provided By
MP 229 - 231 Enamine Building Blocks
MP 229...231 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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