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

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(4-methyl-1,4-diazepan-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-(4-methyl-1,4-diazepan-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) 1.91 8.23 -72.14 1 6 0 66 320.437 4 ↓
Hi High (pH 8-9.5) 1.91 6.29 -63.3 0 6 -1 64 319.429 4 ↓
Lo Low (pH 4.5-6) 1.91 8.11 -73.82 1 6 0 66 320.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(4-methyl-1,4-diazepan-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-(4-methyl-1,4-diazepan-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) 1.91 8.11 -71.27 1 6 0 66 320.437 4 ↓
Hi High (pH 8-9.5) 1.91 6.25 -60.44 0 6 -1 64 319.429 4 ↓
Lo Low (pH 4.5-6) 1.91 8.27 -68.81 1 6 0 66 320.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-allyl-5-(1,4-diazepan-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-allyl-5-(1,4-diazepan-1-y…

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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) 1.08 5.82 -77.07 2 6 0 78 304.394 4 ↓
Hi High (pH 8-9.5) 1.08 4.61 -61.34 1 6 -1 73 303.386 4 ↓
Lo Low (pH 4.5-6) 1.08 7.86 -134.37 3 6 1 79 305.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-allyl-5-(1,4-diazepan-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-allyl-5-(1,4-diazepan-1-y…

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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) 1.08 5.55 -80.99 2 6 0 78 304.394 4 ↓
Hi High (pH 8-9.5) 1.08 4.21 -63.92 1 6 -1 73 303.386 4 ↓
Lo Low (pH 4.5-6) 1.08 7.71 -133.1 3 6 1 79 305.402 4 ↓

Parameters Provided:

ring.id = 585271
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 = 585271 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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