UCSF

ZINC13255390

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 35 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) 4.67 12.25 -62.66 2 8 -1 128 485.545 6
Mid Mid (pH 6-8) 4.67 12.68 -81.57 3 8 0 129 486.553 6
Mid Mid (pH 6-8) 5.13 9.78 -130.79 1 8 -2 131 484.537 6

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

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