UCSF

ZINC53398084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 29 Yes

Popular Name: 3,6,6-trimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridyl]methyl]-4-oxo-5,7-dihydrobenzofuran-2-carbox 3,6,6-trimethyl-N-[[2-(2-methyli…

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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) 2.22 10.22 -17.71 1 7 0 90 392.459 4 ↓
Lo Low (pH 4.5-6) 2.22 10.68 -40.27 2 7 1 91 393.467 4 ↓

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Rings

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

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