UCSF

ZINC71561689

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 18 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) 0.97 2.98 -42.07 4 5 1 75 248.306 6
Hi High (pH 8-9.5) 0.97 2.57 -10.19 3 5 0 73 247.298 6
Lo Low (pH 4.5-6) 0.97 3.44 -111.23 5 5 2 76 249.314 6

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

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