UCSF

ZINC66129385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 40 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) 4.36 14.52 -19.79 1 8 0 96 545.68 10
Lo Low (pH 4.5-6) 4.36 15.5 -52.09 2 8 1 101 546.688 10

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

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