UCSF

ZINC71579919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 22 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) 4.73 6.29 -6.41 0 4 0 38 357.932 5
Mid Mid (pH 6-8) 4.73 8.57 -40.35 1 4 1 39 358.94 5

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

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