UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(azetidin-3-ylsulfanyl)-4-isopropyl-1,2,4-triazol-3-amine 5-(azetidin-3-ylsulfanyl)-4-isop…

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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) 0.55 4.91 -45.87 4 5 1 73 214.318 3 ↓
Hi High (pH 8-9.5) 0.55 3.21 -10.01 3 5 0 69 213.31 3 ↓

Analogs

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Popular Name: 3-(azetidin-3-ylsulfanyl)-4-methyl-4H-1,2,4-triazole hydrochloride 3-(azetidin-3-ylsulfanyl)-4-meth…

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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) 0.01 4.19 -45.39 2 4 1 47 171.249 2 ↓
Hi High (pH 8-9.5) 0.01 2.5 -10.38 1 4 0 43 170.241 2 ↓

Analogs

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Popular Name: 3-(azetidin-3-ylsulfanyl)-1,2,4-triazol-4-amine 3-(azetidin-3-ylsulfanyl)-1,2,4-…

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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) -0.60 2.32 -45.37 4 5 1 73 172.237 2 ↓
Hi High (pH 8-9.5) -0.60 0.63 -8.7 3 5 0 69 171.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(azetidin-3-ylsulfanyl)-4-methyl-1,2,4-triazol-3-amine 5-(azetidin-3-ylsulfanyl)-4-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.18 3.6 -46.77 4 5 1 73 186.264 2 ↓
Hi High (pH 8-9.5) -0.18 1.9 -10.71 3 5 0 69 185.256 2 ↓

Parameters Provided:

ring.id = 274376
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 274376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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