UCSF

ZINC52570029

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 20 No

Popular Name: 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide 2-amino-6-benzyl-4,5,6,7-tetrahy…

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CAS Number: 34959-32-5

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) 1.05 2.21 -5.62 3 4 0 70 287.388 3 ↓
Mid Mid (pH 6-8) 1.05 3.65 -55.23 4 4 1 71 288.396 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 76 - 78 Enamine Building Blocks
MP 76...78 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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