UCSF

ZINC62591944

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 19 No

Popular Name: 8-(piperidin-1-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridine-3(2H)-thione 8-(piperidin-1-ylsulfonyl)[1,2,4…

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CAS Number: [1291486-49-1]

Other Names:

MFCD18804061

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) 1.65 5.43 -51.61 0 6 -1 68 297.385 2 ↓
Lo Low (pH 4.5-6) 0.92 5.36 -16.28 1 6 0 70 298.393 2 ↓

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

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