UCSF

ZINC65493750

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Substance Information

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

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

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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) 0.45 3.49 -57.23 3 7 1 88 347.439 6 ↓
Hi High (pH 8-9.5) 0.45 2.02 -16.78 2 7 0 84 346.431 6 ↓
Lo Low (pH 4.5-6) 0.45 3.86 -97.5 4 7 2 89 348.447 6 ↓

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

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