UCSF

ZINC56686228

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 19 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) 2.61 7.3 -27.62 1 2 0 27 271.282 4
Hi High (pH 8-9.5) 2.61 4.46 -4.48 1 2 0 23 271.282 4

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

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