UCSF

ZINC42545154

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 Yes

Other Names:

MFCD14671566

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) 3.02 4.64 -35.13 2 2 1 20 199.362 6
Hi High (pH 8-9.5) 3.02 3.72 -1.09 1 2 0 15 198.354 6
Mid Mid (pH 6-8) 3.02 6.43 -31.83 2 2 1 16 199.362 6
Lo Low (pH 4.5-6) 3.02 7.44 -104.14 3 2 2 21 200.37 6

Vendor Notes

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

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