UCSF

ZINC54898625

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.77 8.25 -7.01 2 5 0 61 394.302 8
Hi High (pH 8-9.5) 3.96 7.45 -41.76 1 5 -1 68 393.294 8
Lo Low (pH 4.5-6) 3.77 8.67 -76.32 3 5 0 63 395.31 8

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Analogs ( Draw Identity 99% 90% 80% 70% )

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