UCSF

ZINC36874120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 Yes

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) 2.48 6.66 -36.96 3 3 1 45 248.737 2
Hi High (pH 8-9.5) 2.48 4.8 -6.5 2 3 0 41 247.729 2
Hi High (pH 8-9.5) 2.48 5.46 -8.14 2 3 0 41 247.729 2
Lo Low (pH 4.5-6) 2.48 6.41 -104.71 4 3 2 47 249.745 2

Vendor Notes

Note Type Comments Provided By
MP 247 - 249 Enamine Building Blocks
MP 247...249 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )