UCSF

ZINC41664500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 5.18 11.06 -17.5 0 6 0 61 457.526 6
Mid Mid (pH 6-8) 5.18 13.94 -55.9 1 6 1 62 458.534 6

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

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