UCSF

ZINC48632023

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 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) 4.38 8.03 -37.69 2 4 1 52 290.383 5
Hi High (pH 8-9.5) 4.38 6.86 -7.97 1 4 0 48 289.375 5

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

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