UCSF

ZINC68856855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 23 Yes

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) 2.66 9.88 -12.09 0 5 0 56 319.401 10
Mid Mid (pH 6-8) 2.66 11.74 -40.86 1 5 1 57 320.409 10

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

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