UCSF

ZINC65519933

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 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) 0.45 7.56 -9.33 2 8 0 93 327.392 2
Hi High (pH 8-9.5) 0.45 7.82 -35.44 3 8 1 95 328.4 2
Mid Mid (pH 6-8) 0.45 8 -34.32 3 8 1 95 328.4 2
Lo Low (pH 4.5-6) 0.45 8.25 -89.65 4 8 2 96 329.408 2
Lo Low (pH 4.5-6) 0.45 8.43 -81.4 4 8 2 96 329.408 2

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

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