UCSF

ZINC67540945

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.47 -0.06 -13.07 2 8 0 100 332.36 6
Hi High (pH 8-9.5) -0.01 -2.14 -42.92 1 8 -1 104 331.352 6
Mid Mid (pH 6-8) -0.47 2.22 -47.64 3 8 1 102 333.368 6

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

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