UCSF

ZINC21990157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 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) 2.88 5.46 -3.08 1 2 0 24 180.295 5
Mid Mid (pH 6-8) 2.88 6 -22.92 2 2 1 26 181.303 5

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

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