UCSF

ZINC65527408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: (3aR,6aR)-2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a (3aR,6aR)-2-methyl-N-(2-pyrrolid…

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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) -0.47 -1.63 -60.53 3 7 1 86 331.462 5 ↓
Hi High (pH 8-9.5) -0.47 -3.07 -17.96 2 7 0 82 330.454 5 ↓
Lo Low (pH 4.5-6) -0.47 1.07 -125.82 4 7 2 88 332.47 5 ↓
Lo Low (pH 4.5-6) -0.47 -0.37 -53.15 3 7 1 83 331.462 5 ↓

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Rings

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

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