UCSF

ZINC21948727

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 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) 1.22 5.5 -102 3 2 2 21 172.316 3
Hi High (pH 8-9.5) 1.22 4.11 -31.31 2 2 1 16 171.308 3
Hi High (pH 8-9.5) 1.22 3.41 -36.46 2 2 1 20 171.308 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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