UCSF

ZINC49547061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 19 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) 2.17 3.98 -41.84 3 4 1 49 282.433 6
Hi High (pH 8-9.5) 2.17 2.27 -5.87 2 4 0 44 281.425 6

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

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