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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,4R,5R)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]amino]cyclopentanecarboxylic 1-[[(1R,4R,5R)-bicyclo[2.2.1]hep…

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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) 0.05 7.18 -59.59 1 4 -1 69 248.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R,4R,5S)-bicyclo[2.2.1]hept-2-ene-5-carbonyl]amino]cyclopentanecarboxylic 1-[[(1R,4R,5S)-bicyclo[2.2.1]hep…

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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) 0.05 7.22 -59.33 1 4 -1 69 248.302 3 ↓

Analogs

35765692
35765692
35765691
35765691
37387245
37387245
36137504
36137504
36137507
36137507

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[allyl(cyclopentyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-[allyl(cyclopent…

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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) 2.95 9.72 -54.98 0 4 -1 60 288.367 5 ↓
Lo Low (pH 4.5-6) 2.95 8.16 -11.98 1 4 0 58 289.375 5 ↓

Analogs

35765692
35765692
35765691
35765691
37387245
37387245
36137504
36137504
36137507
36137507

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[allyl(cyclopentyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-[allyl(cyclopent…

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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) 2.95 9.65 -52.55 0 4 -1 60 288.367 5 ↓
Lo Low (pH 4.5-6) 2.95 7.44 -7.22 1 4 0 58 289.375 5 ↓

Analogs

35765692
35765692
35765691
35765691
15774605
15774605
36137504
36137504
36137507
36137507

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[cyclopentyl(2-hydroxyethyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-[cyclopentyl(2-h…

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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) 1.67 7.12 -55.35 1 5 -1 81 292.355 5 ↓
Lo Low (pH 4.5-6) 1.67 5.2 -14.74 2 5 0 78 293.363 5 ↓

Analogs

53116546
53116546
53116549
53116549
35765692
35765692
35765691
35765691
15774605
15774605

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[cyclopentyl(2-hydroxyethyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-[cyclopentyl(2-h…

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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) 1.67 6.08 -49.25 1 5 -1 81 292.355 5 ↓
Lo Low (pH 4.5-6) 1.67 4.6 -9.56 2 5 0 78 293.363 5 ↓

Parameters Provided:

ring.id = 139663
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 = 139663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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