UCSF

ZINC07779461

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2006 20 No

Other Names:

MFCD07838487

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) 2.30 4.59 -13.62 3 5 0 81 285.328 3
Hi High (pH 8-9.5) 2.30 4.65 -44.31 2 5 -1 79 284.32 3
Lo Low (pH 4.5-6) 2.30 4.93 -35.38 4 5 1 82 286.336 3

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% )