UCSF

ZINC71585034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 16 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) 1.90 4.3 -119.57 5 2 2 44 261.196 2
Hi High (pH 8-9.5) 1.90 4.07 -40.83 4 2 1 43 260.188 2

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

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