UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-piperidyl]methanesulfonamide N-[(3R)-1-(6-methylimidazo[2,1-b…

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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) 0.70 2.98 -19.27 1 7 0 80 315.424 3 ↓
Lo Low (pH 4.5-6) 0.70 3.43 -34.72 2 7 1 81 316.432 3 ↓

Analogs

23371062
23371062

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Popular Name: 6-tert-butyl-2-[(3R)-3-(trifluoromethyl)-1-piperidyl]imidazo[2,1-b][1,3,4]thiadiazole 6-tert-butyl-2-[(3R)-3-(trifluor…

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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) 4.57 8.48 -8.92 0 4 0 33 332.395 3 ↓
Lo Low (pH 4.5-6) 4.57 8.88 -25.83 1 4 1 35 333.403 3 ↓

Analogs

23371059
23371059

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Popular Name: 6-tert-butyl-2-[(3S)-3-(trifluoromethyl)-1-piperidyl]imidazo[2,1-b][1,3,4]thiadiazole 6-tert-butyl-2-[(3S)-3-(trifluor…

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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) 4.57 8.45 -7.9 0 4 0 33 332.395 3 ↓
Lo Low (pH 4.5-6) 4.57 8.85 -25.91 1 4 1 35 333.403 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 4.16 6.81 -12.39 1 7 0 72 337.449 4 ↓
Lo Low (pH 4.5-6) 4.16 7.26 -29.67 2 7 1 73 338.457 4 ↓

Analogs

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Popular Name: N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-4-piperidyl]methyl]acetamide N-[[1-(6-methylimidazo[2,1-b][1,…

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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) 1.07 6.07 -18.19 1 6 0 63 293.396 3 ↓
Lo Low (pH 4.5-6) 1.07 6.52 -33.07 2 6 1 64 294.404 3 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-piperidyl]methanamine N,N-dimethyl-1-[(2R)-1-(6-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) 2.07 7.95 -47.33 1 5 1 38 280.421 3 ↓
Lo Low (pH 4.5-6) 2.07 9.49 -77.1 2 5 2 39 281.429 3 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-piperidyl]methanamine N,N-dimethyl-1-[(2S)-1-(6-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) 2.07 8.16 -50.16 1 5 1 38 280.421 3 ↓
Lo Low (pH 4.5-6) 2.07 9.84 -77.79 2 5 2 39 281.429 3 ↓

Parameters Provided:

ring.id = 19919
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 = 19919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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