UCSF

ZINC46671466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 28 No

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) 1.09 3.83 -26.57 4 9 0 120 387.44 4
Hi High (pH 8-9.5) 2.17 2.19 -76.47 3 9 -1 126 386.432 4

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

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