UCSF

ZINC72266793

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 10 Yes

Popular Name: (4aR,7aR)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridine (4aR,7aR)-6-methyl-octahydro-1H-…

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CAS Number: 1486465-48-8

Other Names:

MFCD21602407

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) 0.75 2.42 -31.7 2 2 1 16 141.238 0 ↓
Mid Mid (pH 6-8) 0.75 1.11 -36.84 2 2 1 20 141.238 0 ↓
Lo Low (pH 4.5-6) 0.75 3.61 -101.07 3 2 2 21 142.246 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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