UCSF

ZINC53674261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 2.63 4.62 -10.72 1 4 0 50 249.31 4
Hi High (pH 8-9.5) 2.63 5.54 -55.25 0 4 -1 53 248.302 4

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

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