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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12218416
12218416

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Popular Name: N-isopropyl-1-[2-[(2R)-1-propyl-2-piperidyl]ethyl]triazole-4-carboxamide N-isopropyl-1-[2-[(2R)-1-propyl-…

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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) 2.03 0.5 -41.6 2 6 1 64 308.45 7 ↓

Analogs

12218415
12218415

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Popular Name: N-isopropyl-1-[2-[(2S)-1-propyl-2-piperidyl]ethyl]triazole-4-carboxamide N-isopropyl-1-[2-[(2S)-1-propyl-…

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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) 2.03 0.71 -41.96 2 6 1 64 308.45 7 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[2-[(2R)-1-methyl-2-piperidyl]ethyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[2-[(2R)-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) 1.74 6.3 -43.81 1 5 1 52 291.297 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-1-[1-[2-[(2S)-1-methyl-2-piperidyl]ethyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[2-[(2S)-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) 1.74 6.3 -44.76 1 5 1 52 291.297 5 ↓

Analogs

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Popular Name: 2-[1-[2-[(2S)-1-methyl-2-piperidyl]ethyl]triazol-4-yl]propan-2-amine 2-[1-[2-[(2S)-1-methyl-2-piperid…

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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) 1.48 4.68 -99.85 4 5 2 63 253.394 4 ↓
Hi High (pH 8-9.5) 1.48 4.44 -41.58 3 5 1 61 252.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[2-[(2R)-1-methyl-2-piperidyl]ethyl]triazol-4-yl]propan-2-amine 2-[1-[2-[(2R)-1-methyl-2-piperid…

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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) 1.48 4.67 -97.53 4 5 2 63 253.394 4 ↓
Hi High (pH 8-9.5) 1.48 4.44 -40.28 3 5 1 61 252.386 4 ↓

Parameters Provided:

ring.id = 92388
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 = 92388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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