UCSF

ZINC49362667

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 25 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) 1.54 5.74 -50.58 2 6 1 61 363.404 7
Hi High (pH 8-9.5) 1.54 3.34 -11.93 1 6 0 59 362.396 7

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

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