UCSF

ZINC60220924

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.43 2.95 -51.16 2 8 -1 114 349.374 6
Mid Mid (pH 6-8) 2.40 2.66 -15.19 2 8 0 108 350.382 7
Mid Mid (pH 6-8) 2.40 3.85 -50.95 3 8 1 112 351.39 7

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

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