UCSF

ZINC54898405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.19 5.47 -44.92 3 4 1 53 296.46 1
Hi High (pH 8-9.5) 1.19 5.14 -5.37 2 4 0 51 295.452 1
Mid Mid (pH 6-8) 1.19 4.59 -22.75 3 4 1 53 296.46 1
Mid Mid (pH 6-8) 1.19 4.93 -99.72 4 4 2 54 297.468 1

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

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