UCSF

ZINC65497345

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: (3aR,6aR)-N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyacetyl)-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyr (3aR,6aR)-N-[(2,3-difluorophenyl…

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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) 0.66 4.79 -55.94 3 6 1 75 354.377 5 ↓
Hi High (pH 8-9.5) 0.66 2.9 -16.71 2 6 0 71 353.369 5 ↓

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

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