UCSF

ZINC19473720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.79 4.98 -29.65 2 2 1 16 197.346 1
Mid Mid (pH 6-8) 1.79 4.5 -39.58 2 2 1 20 197.346 1
Mid Mid (pH 6-8) 1.79 6.37 -100.91 3 2 2 21 198.354 1

Vendor Notes

Note Type Comments Provided By
MP 244 - 246 Enamine Building Blocks
MP 244...246 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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