UCSF

ZINC42290503

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) -0.09 5.03 -91.8 3 3 2 36 167.256 1
Mid Mid (pH 6-8) -0.09 4.55 -49.33 2 3 1 34 166.248 1

Vendor Notes

Note Type Comments Provided By
MP 252 - 254 Enamine Building Blocks
MP 252...254 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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