UCSF

ZINC56874775

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 25 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) -3.44 -7.25 -49.94 6 10 -1 172 356.307 4
Lo Low (pH 4.5-6) -3.44 -6.82 -33.92 7 10 0 176 357.315 4

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

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