UCSF

ZINC19959304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 Yes

Other Names:

MFCD11146426

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) 2.17 6.6 -98.67 3 2 2 21 174.332 7
Mid Mid (pH 6-8) 2.17 4.06 -35.98 2 2 1 20 173.324 7

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% )