UCSF

ZINC00040374

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide N-(3-cyano-4,5,6,7-tetrahydro-1-…

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CAS Number:

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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) 1.80 5.44 -7.75 1 3 0 53 220.297 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 165 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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