UCSF

ZINC55413471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 24 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) 1.09 7.03 -10.43 0 6 0 59 329.4 7
Lo Low (pH 4.5-6) 1.09 7.48 -40.06 1 6 1 60 330.408 7

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

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