UCSF

ZINC52907270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.86 9.99 -48.42 2 7 1 89 358.418 7
Hi High (pH 8-9.5) 3.86 8.04 -10.15 1 7 0 87 357.41 7
Hi High (pH 8-9.5) 3.68 9.05 -30.25 1 7 0 95 357.41 7

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

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