UCSF

ZINC20546879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 2.42 4.66 -13.67 4 7 0 92 324.388 3
Mid Mid (pH 6-8) 2.42 7.09 -65.08 5 7 1 93 325.396 3

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

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