UCSF

ZINC00050419

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 2-mercapto-4,5,6-trimethylnicotinonitrile 2-mercapto-4,5,6-trimethylnicoti…

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CAS Number: 128917-84-0

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) 1.60 5.39 -24.47 1 2 0 40 178.26 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 276° Fluorochem
Purity 95%+ Fluorochem

Activity (Go SEA)

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

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