UCSF

ZINC13275867

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 28 No

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) 3.02 10.77 -129.8 0 6 -2 101 379.343 5
Mid Mid (pH 6-8) 2.43 9.7 -81.15 0 6 -1 95 380.351 5
Mid Mid (pH 6-8) 3.02 8.37 -87.66 1 6 -1 98 380.351 4

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

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