UCSF

ZINC68587471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2011 13 Yes

Other Names:

MFCD19597916

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) -0.65 -1.62 -39.69 3 4 1 49 189.279 5
Hi High (pH 8-9.5) -0.65 -2.94 -5.08 2 4 0 45 188.271 5

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% )