UCSF

ZINC32915228

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 15 Yes

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

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CAS Numbers: 132414-50-7 , 370879-92-8 , [132414-50-7]

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) 1.88 5.26 -33.27 2 2 1 16 203.309 2 ↓
Hi High (pH 8-9.5) 1.88 4.69 -38.98 2 2 1 20 203.309 2 ↓
Hi High (pH 8-9.5) 3.67 11.42 -49.05 1 5 1 46 384.544 4 ↓
Mid Mid (pH 6-8) 1.88 6.71 -111.29 3 2 2 21 204.317 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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