UCSF

ZINC49415953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 22 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) 3.11 9.76 -13.23 1 5 0 60 294.358 5
Lo Low (pH 4.5-6) 3.11 10.31 -40.16 2 5 1 61 295.366 5

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

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