UCSF

ZINC19421871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 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) -0.04 3.59 -53.93 3 2 1 37 196.245 2
Hi High (pH 8-9.5) -0.04 3.3 -4.32 2 2 0 35 195.237 2

Vendor Notes

Note Type Comments Provided By
MP 277 - 279 Enamine Building Blocks
MP 277...279 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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