UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-methylthiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine N-[(4-methylthiazol-2-yl)methyl]…

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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) 0.79 2.53 -8.75 1 4 0 51 212.303 3 ↓

Analogs

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Popular Name: N-(thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine N-(thiazol-2-ylmethyl)-1,3,4-thi…

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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) 0.57 1.92 -8.68 1 4 0 51 198.276 3 ↓

Analogs

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

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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) 1.09 2.35 -40.99 1 4 -1 51 229.335 3 ↓

Analogs

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Popular Name: 5-[(4-methylthiazol-2-yl)methylamino]-1,3,4-thiadiazole-2-thiol 5-[(4-methylthiazol-2-yl)methyla…

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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) 1.31 2.96 -41.07 1 4 -1 51 243.362 3 ↓

Analogs

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

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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) 0.54 3.69 -45.4 1 6 -1 91 287.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.76 4.3 -45.4 1 6 -1 91 301.398 6 ↓

Parameters Provided:

ring.id = 506653
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 = 506653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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