UCSF

ZINC37248623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 Yes

Other Names:

MFCD12166068

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) 1.40 5.26 -36.53 2 3 1 30 209.313 3
Mid Mid (pH 6-8) 1.40 4.06 -38.09 2 3 1 33 209.313 3
Lo Low (pH 4.5-6) 1.40 6.45 -103.22 3 3 2 34 210.321 3

Vendor Notes

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

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