UCSF

ZINC54893902

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) 3.52 5.95 -16.47 1 5 0 62 348.402 4
Hi High (pH 8-9.5) 3.52 7.56 -62.23 0 5 -1 65 347.394 4
Hi High (pH 8-9.5) 3.52 6.71 -51.67 0 5 -1 65 347.394 4
Lo Low (pH 4.5-6) 3.52 6.38 -38.05 2 5 1 64 349.41 4
Lo Low (pH 4.5-6) 3.52 7.23 -31.4 2 5 1 64 349.41 4

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

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