UCSF

ZINC55569092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 24 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) 1.51 6.79 -34.54 4 5 1 64 329.468 8
Hi High (pH 8-9.5) 1.51 6.27 -44.02 4 5 1 68 329.468 8
Mid Mid (pH 6-8) 1.51 8.07 -122.72 5 5 2 69 330.476 8

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

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