UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[cyclobutylmethyl(methyl)amino]-1,3,4-thiadiazole-2-thiol 5-[cyclobutylmethyl(methyl)amino…

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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) 2.32 5.97 -43.32 0 3 -1 29 214.339 3 ↓

Analogs

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Popular Name: 2-[[5-[cyclobutylmethyl(methyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[cyclobutylmethyl(methyl)a…

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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) 1.77 7.31 -46.4 0 5 -1 69 272.375 6 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine N-(cyclobutylmethyl)-1,3,4-thiad…

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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) 1.55 3.82 -6.66 1 3 0 38 169.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(cyclobutylmethylamino)-1,3,4-thiadiazole-2-thiol 5-(cyclobutylmethylamino)-1,3,4-…

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) 2.07 4.25 -39.76 1 3 -1 38 200.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(cyclobutylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(cyclobutylmethylamino)-1,…

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) 1.52 5.59 -43.82 1 5 -1 78 258.348 6 ↓

Parameters Provided:

ring.id = 219508
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 = 219508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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