UCSF

ZINC19929702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 12 Yes

Other Names:

MFCD09901920

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) -0.21 2.21 -87.85 4 3 2 35 173.304 3
Mid Mid (pH 6-8) -0.21 1.74 -101.92 4 3 2 35 173.304 3
Mid Mid (pH 6-8) -0.21 -0.26 -43.93 3 3 1 34 172.296 3

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% )