UCSF

ZINC36305168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 13 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) -0.84 -1.16 -45.16 3 4 1 49 187.263 1
Hi High (pH 8-9.5) -0.84 -2.09 -3.26 2 4 0 48 186.255 1
Lo Low (pH 4.5-6) -0.84 0.68 -118.87 4 4 2 51 188.271 1

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% )