UCSF

ZINC02500170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 18 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) 0.20 2.31 -51.05 0 6 -1 90 269.302 3
Lo Low (pH 4.5-6) 0.20 2.59 -73.07 1 6 0 92 270.31 3

Vendor Notes

Note Type Comments Provided By
MP 214 - 216 Enamine Building Blocks
MP 214...216 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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