UCSF

ZINC36754508

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 No

Other Names:

MFCD28397698

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) -1.32 0.72 -46.31 3 5 1 68 226.3 2
Hi High (pH 8-9.5) -1.32 0.4 -8.17 2 5 0 67 225.292 2
Lo Low (pH 4.5-6) -1.32 2.91 -100.64 4 5 2 69 227.308 2

Vendor Notes

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

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