UCSF

ZINC66903653

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.10 7.96 -9.25 0 2 0 30 257.358 1
Lo Low (pH 4.5-6) 3.10 8.36 -29.2 1 2 1 31 258.366 1

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

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