UCSF

ZINC41586257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 4.16 12.87 -51.02 2 7 1 86 461.538 6
Hi High (pH 8-9.5) 4.16 11.17 -45.92 0 7 -1 88 459.522 6
Mid Mid (pH 6-8) 4.16 10.58 -13.82 1 7 0 85 460.53 6
Mid Mid (pH 6-8) 4.16 13.44 -34.97 1 7 0 89 460.53 6

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

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