UCSF

ZINC03865160

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 No

Popular Name: 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile 2-amino-5,6,7,8-tetrahydro-4H-cy…

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CAS Numbers: 23917-22-8 , [23917-22-8]

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) 2.57 -0.54 -6.13 2 2 0 50 192.287 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 103 - 115 Enamine Building Blocks
MP 121 - 123 Enamine Building Blocks
MP 121...123 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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