UCSF

ZINC22681708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.84 9 -45.58 2 4 1 46 332.855 7
Hi High (pH 8-9.5) 2.84 7.39 -9.34 1 4 0 45 331.847 7

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

No pre-computed analogs available. Try a structural similarity search.