UCSF

ZINC26385561

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 42 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.37 9.99 -104.31 7 10 2 146 587.806 14
Hi High (pH 8-9.5) 2.37 8.34 -15.93 5 10 0 143 585.79 14
Hi High (pH 8-9.5) 2.37 9.68 -53.67 6 10 1 144 586.798 14

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