UCSF

ZINC67172139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 17 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) 3.33 8.29 -93.12 2 2 2 18 295.224 2
Hi High (pH 8-9.5) 3.33 6.05 -30.53 1 2 1 17 294.216 2

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

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