UCSF

ZINC66447227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.07 5.49 -7.55 0 5 0 50 322.449 3
Lo Low (pH 4.5-6) 2.07 7.83 -34.21 1 5 1 51 323.457 3

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

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