UCSF

ZINC03830583

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 27 No

Popular Name: N-{2-chloro-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-propylpyrrolidine-2-carboxamide N-{2-chloro-1-[3,4,5-trihydroxy-…

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CAS Numbers: 1097774-72-5 , 21462-39-5 , 58207-19-5

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) 2.06 2.36 -45.63 5 7 1 103 425.999 7 ↓
Hi High (pH 8-9.5) 2.06 -0.12 -12.23 4 7 0 102 424.991 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 139 - 141 Enamine Building Blocks
MP 139...141 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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