UCSF

ZINC39499153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 5.32 8.64 -8.25 2 3 0 44 361.466 3
Lo Low (pH 4.5-6) 5.32 8.45 -38 3 3 1 45 362.474 3

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

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