UCSF

ZINC20284259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.44 4.56 -54.59 3 4 1 49 220.296 1
Mid Mid (pH 6-8) 1.44 3.17 -10.63 2 4 0 44 219.288 1

Vendor Notes

Note Type Comments Provided By
MP 287 - 289 Enamine Building Blocks
MP 287...289 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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