UCSF

ZINC55585260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 21 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) 2.27 2.96 -39.76 1 7 -1 95 327.773 4
Hi High (pH 8-9.5) 2.09 3.28 -44.93 1 7 -1 95 327.773 5
Mid Mid (pH 6-8) 2.09 2.99 -12.08 2 7 0 93 328.781 5

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

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