UCSF

ZINC71574950

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 No

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) 2.45 3.06 -11.28 1 3 0 46 253.367 2
Mid Mid (pH 6-8) 2.45 4.29 -57.54 2 3 1 51 254.375 2

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

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