UCSF

ZINC69460421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 No

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) 1.77 11.32 -6.76 1 6 0 69 284.776 6
Lo Low (pH 4.5-6) 1.77 11.81 -33.23 2 6 1 70 285.784 6

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

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