UCSF

ZINC41588376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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) 4.38 6.8 -9.87 0 6 0 55 475.372 4
Mid Mid (pH 6-8) 4.38 9.06 -48.69 1 6 1 56 476.38 4
Lo Low (pH 4.5-6) 4.38 9.66 -52.66 1 6 1 56 476.38 4

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

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