UCSF

ZINC71556393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 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) 3.92 9.34 -50.96 1 6 0 75 417.556 8
Hi High (pH 8-9.5) 3.92 6.87 -55.08 0 6 -1 74 416.548 8
Mid Mid (pH 6-8) 4.84 9.21 -45.71 2 6 1 76 418.564 7

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

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