UCSF

ZINC22710139

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 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) 5.92 16.35 -8.09 1 5 0 56 474.358 5
Mid Mid (pH 6-8) 5.92 16.82 -29.87 2 5 1 57 475.366 5

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

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