UCSF

ZINC55120447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 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) 2.03 8.04 -46.81 1 6 1 60 347.435 4
Mid Mid (pH 6-8) 2.03 6.21 -12.72 0 6 0 59 346.427 4

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

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