UCSF

ZINC19506716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 1.64 1.76 -49.71 1 5 -1 86 228.249 3
Hi High (pH 8-9.5) 1.64 1.82 -116.82 0 5 -2 88 227.241 3

Vendor Notes

Note Type Comments Provided By
MP 195 - 197 Enamine Building Blocks
MP 195...197 Enamine Building Blocks
MP 204 - 206 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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