UCSF

ZINC38342277

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 13 Yes

Other Names:

MFCD13196021

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) 0.03 4.25 -8.87 0 4 0 53 182.223 6
Lo Low (pH 4.5-6) 0.03 6.16 -45.73 1 4 1 55 183.231 6

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% )