UCSF

ZINC20285680

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 9 Yes

Popular Name: 1-Methyloctahydropyrrolo[3,4-b]pyrrole 1-Methyloctahydropyrrolo[3,4-b]p…

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CAS Numbers: 1224886-44-5 , 128740-09-0 , 1312756-38-9 , 1353644-77-5 , 870706-50-6 , N/A , [128740-09-0]

Download: MOL2 SDF SMILES Flexibase

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) 0.48 0.42 -37.5 2 2 1 20 127.211 0 ↓
Hi High (pH 8-9.5) 0.48 1.55 -31.17 2 2 1 16 127.211 0 ↓
Hi High (pH 8-9.5) 0.48 -1.01 -1.85 1 2 0 15 126.203 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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