UCSF

ZINC41584352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 3.07 4.17 -13.88 1 6 0 68 356.422 9
Hi High (pH 8-9.5) 3.07 5.98 -42.31 0 6 -1 71 355.414 9
Mid Mid (pH 6-8) 3.07 6.38 -39.2 2 6 1 69 357.43 9

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

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