UCSF

ZINC69508976

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 15 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) -1.59 3.67 -46.18 1 5 -1 78 224.265 2
Lo Low (pH 4.5-6) -1.59 4.88 -29.43 2 5 0 83 225.273 2

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

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