UCSF

ZINC55020085

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 28 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) 3.82 6.84 -18.83 3 6 0 93 397.5 5
Lo Low (pH 4.5-6) 3.82 6.47 -47.25 4 6 1 94 398.508 5

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

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