UCSF

ZINC36747154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 Yes

Other Names:

MFCD12433369

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) -0.67 1.89 -70.33 3 6 -1 112 239.251 5
Lo Low (pH 4.5-6) -0.67 -0.07 -20.71 4 6 0 109 240.259 5

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% )