UCSF

ZINC39339553

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 Yes

Other Names:

MFCD19381871

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) 1.21 4.25 -7.17 1 3 0 38 160.176 1
Hi High (pH 8-9.5) 1.21 5 -42.4 0 3 -1 41 159.168 1
Lo Low (pH 4.5-6) 1.21 4.9 -30.95 2 3 1 39 161.184 1

Vendor Notes

Note Type Comments Provided By
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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