UCSF

ZINC64549635

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 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) -2.45 -5.24 -67.66 5 12 -1 190 399.38 7
Lo Low (pH 4.5-6) -2.45 -7.37 -25.9 6 12 0 187 400.388 7

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

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