UCSF

ZINC23363258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.18 9.04 -13.88 2 8 0 109 417.535 9
Mid Mid (pH 6-8) 3.18 9.46 -32.94 3 8 1 110 418.543 9

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

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