UCSF

ZINC62664901

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 18 Yes

Popular Name: [(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrol-5-yl]-(5-fluoro-2-methyl-phenyl)methanone [(3aS,6aS)-2,3,3a,4,6,6a-hexahyd…

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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) 1.58 5.56 -44.63 2 3 1 37 249.309 1 ↓
Hi High (pH 8-9.5) 1.58 4.18 -6.54 1 3 0 32 248.301 1 ↓

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

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