UCSF

ZINC71597276

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) -1.54 0.44 -92.56 5 5 2 68 266.389 6
Mid Mid (pH 6-8) -1.54 0.48 -102.27 5 5 2 68 266.389 6
Mid Mid (pH 6-8) -1.54 -1.81 -46.57 4 5 1 67 265.381 6

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

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