UCSF

ZINC36874177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

Other Names:

MFCD12591001

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) 3.13 7.54 -36.85 3 3 1 45 256.373 3
Hi High (pH 8-9.5) 3.13 5.93 -4.75 2 3 0 41 255.365 3
Hi High (pH 8-9.5) 3.13 5.88 -6.31 2 3 0 41 255.365 3
Lo Low (pH 4.5-6) 3.13 8 -103.72 4 3 2 47 257.381 3

Vendor Notes

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

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