UCSF

ZINC52875800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 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) 3.29 6.22 -41.65 3 5 1 57 374.892 5
Hi High (pH 8-9.5) 3.29 6.99 -64.48 2 5 0 60 373.884 5
Hi High (pH 8-9.5) 3.29 3.94 -11.2 2 5 0 56 373.884 5
Hi High (pH 8-9.5) 3.29 4.71 -41.6 1 5 -1 59 372.876 5

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

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