UCSF

ZINC71582867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 19 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) 2.52 8.79 -42.5 3 3 1 45 258.389 5
Lo Low (pH 4.5-6) 2.52 9.25 -99.63 4 3 2 47 259.397 5

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

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