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

Analogs

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Popular Name: N-[1-(1H-benzotriazole-5-carbonyl)-4-piperidyl]-N-methyl-methanesulfonamide N-[1-(1H-benzotriazole-5-carbony…

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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) 0.03 1.3 -17.7 1 8 0 99 337.405 3 ↓
Hi High (pH 8-9.5) 0.03 1.4 -49.51 0 8 -1 98 336.397 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) 1.82 4.11 -14.02 2 8 0 100 359.43 5 ↓
Hi High (pH 8-9.5) 1.82 4.18 -47.78 1 8 -1 99 358.422 5 ↓

Analogs

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Popular Name: 1-(1H-benzotriazole-5-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(1H-benzotriazole-5-carbonyl)-…

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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) 0.49 4.43 -50.8 1 7 -1 102 287.299 2 ↓
Hi High (pH 8-9.5) 0.49 4.5 -95.08 0 7 -2 100 286.291 2 ↓

Analogs

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Popular Name: (3S)-1-(1H-benzotriazole-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(1H-benzotriazole-5-carbo…

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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) 0.49 4.86 -52.85 1 7 -1 102 287.299 2 ↓
Hi High (pH 8-9.5) 0.49 4.92 -92.39 0 7 -2 100 286.291 2 ↓

Analogs

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Popular Name: (3R)-1-(1H-benzotriazole-5-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(1H-benzotriazole-5-carbo…

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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) 0.49 4.83 -52.74 1 7 -1 102 287.299 2 ↓
Hi High (pH 8-9.5) 0.49 4.93 -93.83 0 7 -2 100 286.291 2 ↓

Analogs

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Popular Name: [(3S,4R)-3-ethyl-4-hydroxy-4-methyl-1-piperidyl]-(1-methylbenzotriazol-5-yl)methanone [(3S,4R)-3-ethyl-4-hydroxy-4-met…

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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 3.41 -11.36 1 6 0 71 302.378 2 ↓

Parameters Provided:

ring.id = 183135
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 = 183135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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