UCSF

ZINC00246015

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Other Names:

MFCD00569542

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) 3.65 3.94 -7.76 4 4 0 75 297.141 2
Hi High (pH 8-9.5) 3.65 4.94 -47.09 3 4 -1 78 296.133 2
Hi High (pH 8-9.5) 3.17 1.92 -44.73 3 4 -1 82 296.133 2

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% )