UCSF

ZINC71767391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.17 7.83 -113.89 2 7 -2 121 314.297 6
Lo Low (pH 4.5-6) 0.17 5.91 -57.75 3 7 -1 119 315.305 6

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

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