UCSF

ZINC19484526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) -0.31 4.47 -44.07 3 3 1 48 219.308 2
Mid Mid (pH 6-8) -0.31 4.18 -9.25 2 3 0 46 218.3 2

Vendor Notes

Note Type Comments Provided By
MP 250 - 252 Enamine Building Blocks
MP 250...252 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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