UCSF

ZINC38739414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 33 Yes

Popular Name: 3-methyl-6-pyrimidin-4-yl-2-[(1R,4R)-2-[4-(trifluoromethyl)benzoyl]-2,5-diazabicyclo[2.2.1]heptan-5- 3-methyl-6-pyrimidin-4-yl-2-[(1R…

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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) 1.25 11.38 -20.84 0 8 0 84 456.428 4 ↓
Lo Low (pH 4.5-6) 1.25 12.09 -45 1 8 1 85 457.436 4 ↓
Lo Low (pH 4.5-6) 1.25 11.34 -59.66 1 8 1 85 457.436 4 ↓

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

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