UCSF

ZINC20543025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 Yes

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) 2.41 8.29 -41.33 2 4 1 39 300.426 7
Hi High (pH 8-9.5) 2.41 6.3 -5.29 1 4 0 37 299.418 7
Lo Low (pH 4.5-6) 2.41 8.72 -89.67 3 4 2 40 301.434 7

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