UCSF

ZINC37835496

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: (1S,4R,5S,6R)-6-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxyl (1S,4R,5S,6R)-6-[methyl-[(1-meth…

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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) 0.46 8.59 -49.16 1 6 0 80 289.335 4 ↓
Mid Mid (pH 6-8) 0.46 7.87 -48.28 0 6 -1 78 288.327 4 ↓
Lo Low (pH 4.5-6) 0.46 6.73 -36.12 2 6 1 77 290.343 4 ↓

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Rings

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