UCSF

ZINC57926674

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 21 Yes

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) 2.91 6.52 -7.8 1 3 0 28 289.329 2
Lo Low (pH 4.5-6) 2.91 6.99 -40.4 2 3 1 29 290.337 2
Lo Low (pH 4.5-6) 2.91 6.47 -37.55 2 3 1 29 290.337 2

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

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