UCSF

ZINC20268585

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 Yes

Other Names:

MFCD07852051

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) 2.14 6.22 -44.81 2 4 1 46 283.779 5
Hi High (pH 8-9.5) 2.14 4.81 -5.19 1 4 0 42 282.771 5
Lo Low (pH 4.5-6) 2.14 6.68 -32.16 2 4 1 43 283.779 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% )