UCSF

ZINC36379946

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 16 No

Popular Name: 4,6-dimethyl-2-(pyrrolidin-1-yl)pyridine-3-carbothioamide 4,6-dimethyl-2-(pyrrolidin-1-yl)…

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CAS Number: 1193387-78-8

Other Names:

MFCD12913263

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) 2.11 5.93 -34.22 3 3 1 43 236.364 2 ↓
Mid Mid (pH 6-8) 2.11 5.56 -11.78 2 3 0 42 235.356 2 ↓

Vendor Notes

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

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