UCSF

ZINC27709880

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 19 Yes

Other Names:

MFCD12569920

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) 2.22 8.89 -111.62 4 2 2 32 256.393 7
Hi High (pH 8-9.5) 2.22 8.51 -36.24 3 2 1 30 255.385 7
Hi High (pH 8-9.5) 2.22 6.67 -45.84 3 2 1 31 255.385 7

Vendor Notes

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

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