UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42107368
42107368

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Popular Name: 6-tert-butyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-tert-butyl-N-[[(3S)-tetrahydro…

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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) 3.11 6.16 -10.66 1 5 0 51 280.397 4 ↓
Mid Mid (pH 6-8) 3.11 6.5 -25.81 2 5 1 53 281.405 4 ↓

Analogs

42107364
42107364

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Popular Name: 6-tert-butyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-tert-butyl-N-[[(3R)-tetrahydro…

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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) 3.11 6.18 -10.8 1 5 0 51 280.397 4 ↓
Mid Mid (pH 6-8) 3.11 6.51 -26.06 2 5 1 53 281.405 4 ↓

Analogs

42107375
42107375

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Popular Name: 6-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[[(3S)-tetrahydrofura…

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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) 1.39 4.26 -11.29 1 5 0 51 238.316 3 ↓
Mid Mid (pH 6-8) 1.39 4.76 -27.66 2 5 1 53 239.324 3 ↓

Analogs

42107372
42107372

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Popular Name: 6-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[[(3R)-tetrahydrofura…

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) 1.39 4.28 -11.4 1 5 0 51 238.316 3 ↓
Mid Mid (pH 6-8) 1.39 4.77 -27.86 2 5 1 53 239.324 3 ↓

Parameters Provided:

ring.id = 612857
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 = 612857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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