UCSF

ZINC38339070

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 9 Yes

Popular Name: cis-Octahydropyrrolo[3,4-b]pyridine cis-Octahydropyrrolo[3,4-b]pyridine

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CAS Numbers: 147459-51-6 , 151213-42-2 , 5654-94-4 , [147459-51-6]

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) 0.50 -1.06 -31.31 2 2 0 31 126.203 0 ↓
Mid Mid (pH 6-8) 0.50 0.59 -37.01 3 2 1 29 127.211 0 ↓
Lo Low (pH 4.5-6) 0.50 1.86 -107.71 4 2 2 33 128.219 0 ↓

Vendor Notes

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

Activity (Go SEA)

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