UCSF

ZINC41646319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 5.56 9.95 -8.17 0 5 0 52 419.521 4
Mid Mid (pH 6-8) 5.56 12.73 -46.29 1 5 1 53 420.529 4

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

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