UCSF

ZINC04203917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 9 Yes

Popular Name: 6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine dihydrochloride 6,7-Dihydro-5H-pyrrolo[3,4-b]pyr…

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CAS Numbers: 147739-88-6 , 147740-02-1 , 204593-51-1 , 651558-51-9 , [147739-88-6] , [651558-51-9]

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) 0.30 2.12 -44.34 2 2 1 29 121.163 0 ↓
Lo Low (pH 4.5-6) 0.30 2.37 -101.19 3 2 2 31 122.171 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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

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