UCSF

ZINC28249203

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 21 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) 2.95 5.54 -41.25 0 5 -1 85 297.315 3
Lo Low (pH 4.5-6) 2.95 5.46 -10.05 1 5 0 83 298.323 3

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

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