UCSF

ZINC19281673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 Yes

Other Names:

MFCD09810895

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) 1.75 3.6 -4.14 2 3 0 38 220.316 2
Lo Low (pH 4.5-6) 1.75 5.58 -35.8 3 3 1 40 221.324 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 93 - 95 Enamine Building Blocks
MP 93...95 Enamine Building Blocks
purity 95 Enamine Building Blocks

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