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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34937161
34937161
34938175
34938175
34938245
34938245

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,2,4-triazole-3-thiol 4-amino-5-(4,5,6,7-tetrahydroben…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80384-1-O PBL (Peripheral Blood Lymphocytes) (cluster #1 Of 1), Other Other 2670 0.49 ADME/T ≤ 10μM

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) 2.63 6.95 -45.13 2 4 -1 57 251.36 1 ↓
Mid Mid (pH 6-8) 1.91 7.1 -12.15 3 4 0 60 252.368 1 ↓

Analogs

34938245
34938245

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1H-1,2,4-triazole-5-thione 4-ethyl-3-(4,5,6,7-tetrahydroben…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80384-1-O PBL (Peripheral Blood Lymphocytes) (cluster #1 Of 1), Other Other 290 0.54 ADME/T ≤ 10μM

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) 3.62 9.54 -45.68 0 3 -1 31 264.399 2 ↓
Mid Mid (pH 6-8) 2.90 9.41 -8.57 1 3 0 34 265.407 2 ↓