UCSF

ZINC34165021

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 12 Yes

Other Names:

MFCD20661417

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) 2.95 5.62 -2.51 1 1 0 12 161.248 0
Lo Low (pH 4.5-6) 2.95 6.06 -33.59 2 1 1 17 162.256 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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