UCSF

ZINC52883506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.14 9.66 -32.46 3 2 1 30 275.46 5
Lo Low (pH 4.5-6) 4.14 9.18 -119.68 4 2 2 32 276.468 5

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

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