UCSF

ZINC71543062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 1.43 6.78 -38.81 2 6 1 64 299.354 5
Mid Mid (pH 6-8) 1.43 4.43 -11.94 1 6 0 63 298.346 5
Lo Low (pH 4.5-6) 1.43 7.28 -89.85 3 6 2 65 300.362 5

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

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