UCSF

ZINC41589240

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 4.00 8.54 -14.14 0 8 0 69 517.626 7
Mid Mid (pH 6-8) 4.00 10.81 -51.75 1 8 1 71 518.634 7
Lo Low (pH 4.5-6) 4.00 13.69 -129.58 2 8 2 72 519.642 7

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

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