UCSF

ZINC36379785

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 27 No

Popular Name: (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[…

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CAS Number: 859-18-7

Other Names:

MFCD12913006

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) 0.83 -0.61 -36.92 6 8 1 124 407.553 7 ↓
Hi High (pH 8-9.5) 0.83 -2.88 -9.62 5 8 0 122 406.545 7 ↓

Vendor Notes

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

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