UCSF

ZINC67446875

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 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) 0.85 5.05 -62.06 4 8 1 105 358.47 5
Hi High (pH 8-9.5) 0.85 3.74 -12.04 3 8 0 101 357.462 5

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

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