UCSF

ZINC98246397

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2015 42 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) -0.86 -8.83 -22.78 9 15 0 245 596.538 6
Hi High (pH 8-9.5) -0.86 -7.84 -68.35 8 15 -1 248 595.53 6

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

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