UCSF

ZINC45411771

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.64 10.34 -13.68 1 4 0 46 357.504 7
Lo Low (pH 4.5-6) 3.64 10.81 -39.1 2 4 1 48 358.512 7

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

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