UCSF

ZINC41678535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 Yes

Other Names:

MFCD20502148

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) 1.65 4.09 -43.76 0 4 -1 53 305.173 3
Mid Mid (pH 6-8) 1.65 6.23 -27.45 1 4 0 54 306.181 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% )