UCSF

ZINC49332523

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 17 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) 0.48 0.41 -34.85 4 6 1 99 239.299 4
Hi High (pH 8-9.5) 0.48 -0.45 -10.83 3 6 0 94 238.291 4

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

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