UCSF

ZINC67754944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 1.23 7.05 -73.34 3 6 1 81 358.462 5
Hi High (pH 8-9.5) 1.23 6.77 -19.49 2 6 0 80 357.454 5

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

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