UCSF

ZINC28405276

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 12 No

Other Names:

MFCD08436225

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) 0.91 2.76 -37.75 1 4 -1 64 180.212 1
Mid Mid (pH 6-8) 0.91 2.81 -6.54 2 4 0 66 181.22 1
Lo Low (pH 4.5-6) 1.42 2.29 -9.83 2 4 0 65 181.22 1

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% )