UCSF

ZINC41645530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 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) 4.64 8.16 -8.9 0 4 0 43 387.838 2
Mid Mid (pH 6-8) 4.64 11.13 -41.5 1 4 1 44 388.846 2

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

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