UCSF

ZINC38735756

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 26 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) 3.47 10.01 -25.52 1 5 0 56 369.421 5
Lo Low (pH 4.5-6) 3.47 10.45 -39.98 2 5 1 57 370.429 5

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

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