UCSF

ZINC65528058

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: (3aR,6aR)-N-methyl-5-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)-1,2,3,3a,4,6-hexahydropyrrolo[3,4-c]pyr (3aR,6aR)-N-methyl-5-methylsulfo…

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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) -0.64 1.78 -52.22 2 8 1 92 356.472 6 ↓
Hi High (pH 8-9.5) -0.64 0.33 -16.97 1 8 0 88 355.464 6 ↓

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

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