UCSF

ZINC37118244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 14 Yes

Other Names:

MFCD12138700

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) 1.99 5 -37.31 2 2 1 20 199.362 7
Hi High (pH 8-9.5) 1.99 5.7 -28.24 2 2 1 16 199.362 7
Mid Mid (pH 6-8) 1.99 7.05 -107.76 3 2 2 21 200.37 7

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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