UCSF

ZINC86862116

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 17 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) -2.92 3.61 -44.25 2 5 1 58 228.279 1
Lo Low (pH 4.5-6) -2.92 4.21 -117.82 3 5 2 60 229.287 1

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

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