UCSF

ZINC71543606

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) -0.09 0.39 -9.37 1 6 0 64 285.369 4
Mid Mid (pH 6-8) -0.09 2.65 -45.58 2 6 1 65 286.377 4

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

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