UCSF

ZINC42062999

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 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) -0.09 1.75 -4.91 3 3 0 55 190.246 1
Mid Mid (pH 6-8) -0.09 1.76 -6.14 3 3 0 55 190.246 1
Mid Mid (pH 6-8) -0.09 2.06 -44.35 4 3 1 57 191.254 1
Mid Mid (pH 6-8) -0.09 2.07 -44.3 4 3 1 57 191.254 1

Vendor Notes

Note Type Comments Provided By
MP 197 - 199 Enamine Building Blocks
MP 197...199 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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