UCSF

ZINC73569469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2012 24 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) 3.10 5.94 -15.81 3 7 0 107 341.245 5
Mid Mid (pH 6-8) 3.10 6.93 -50.45 2 7 -1 110 340.237 5

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

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