UCSF

ZINC34670660

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 5.40 10.45 -38.66 2 1 1 17 274.453 5
Hi High (pH 8-9.5) 5.40 9.08 -2.79 1 1 0 12 273.445 5

Vendor Notes

Note Type Comments Provided By
MP 226 - 228 Enamine Building Blocks
MP 226...228 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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