UCSF

ZINC13410497

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 30 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) 2.99 6.71 -67.1 2 10 -1 146 444.474 7
Mid Mid (pH 6-8) 3.44 4.25 -133.27 1 10 -2 149 443.466 7

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

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