UCSF

ZINC19919186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 13 Yes

Other Names:

MFCD11144228

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) 2.28 4.41 -37.24 2 2 1 20 185.335 6
Hi High (pH 8-9.5) 2.28 5.61 -30.16 2 2 1 16 185.335 6
Mid Mid (pH 6-8) 2.28 6.73 -110.51 3 2 2 21 186.343 6

Vendor Notes

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

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