UCSF

ZINC40539042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 14 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) 1.23 2.13 -47.01 3 3 1 50 189.238 2
Hi High (pH 8-9.5) 1.23 1.73 -6.41 2 3 0 48 188.23 2

Vendor Notes

Note Type Comments Provided By
MP 213 - 215 Enamine Building Blocks
MP 213...215 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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