UCSF

ZINC67028488

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 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) 2.87 6.97 -37.42 1 5 -1 70 344.441 3
Mid Mid (pH 6-8) 3.62 8.05 -12.14 2 5 0 63 345.449 4

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

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