UCSF

ZINC20898573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 1.23 6.15 -10.67 1 7 0 91 300.318 5
Lo Low (pH 4.5-6) 1.23 6.59 -44.68 2 7 1 92 301.326 5

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

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