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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (5R)-5-[(1-carbamoylcycloheptyl)amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-[(1-carbamoylcycloheptyl)…

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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) 2.72 6.08 -92.55 4 7 0 118 362.474 6 ↓
Hi High (pH 8-9.5) 2.72 5.26 -62.48 3 7 -1 113 361.466 6 ↓

Analogs

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Popular Name: (5S)-5-[(1-carbamoylcycloheptyl)amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-[(1-carbamoylcycloheptyl)…

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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) 2.72 5.42 -86.91 4 7 0 118 362.474 6 ↓
Hi High (pH 8-9.5) 2.72 4.72 -57.9 3 7 -1 113 361.466 6 ↓

Analogs

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Popular Name: (5R)-1-allyl-5-[(1-carbamoylcycloheptyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-allyl-5-[(1-carbamoylcycl…

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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) 2.48 5.88 -93.48 4 7 0 118 360.458 6 ↓
Hi High (pH 8-9.5) 2.48 5.06 -63.38 3 7 -1 113 359.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-allyl-5-[(1-carbamoylcycloheptyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-allyl-5-[(1-carbamoylcycl…

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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) 2.48 5.21 -88.12 4 7 0 118 360.458 6 ↓
Hi High (pH 8-9.5) 2.48 4.52 -58.86 3 7 -1 113 359.45 6 ↓

Parameters Provided:

ring.id = 521579
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 = 521579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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