UCSF

ZINC22118581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 2.53 5.43 -40.12 2 3 1 29 249.378 5
Hi High (pH 8-9.5) 2.53 4.08 -3.14 1 3 0 24 248.37 5

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