UCSF

ZINC66074231

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 22 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) 3.52 6.77 -9.91 1 4 0 51 339.222 5
Lo Low (pH 4.5-6) 3.52 6.95 -41.74 2 4 1 52 340.23 5

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

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