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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: 2-[(1S,3S,12bS)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-12b-ethyl-4-oxo-1,2,3,6,7,12-hexah 2-[(1S,3S,12bS)-1-[4-(cyclopropa…

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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) 2.94 11.75 -29.8 2 10 0 119 610.759 8 ↓
Lo Low (pH 4.5-6) 2.94 12.11 -56.42 3 10 1 120 611.767 8 ↓

Analogs

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Popular Name: 2-[(1S,3R,12bS)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-12b-ethyl-4-oxo-1,2,3,6,7,12-hexah 2-[(1S,3R,12bS)-1-[4-(cyclopropa…

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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) 2.94 13.8 -30.48 2 10 0 119 610.759 8 ↓
Lo Low (pH 4.5-6) 2.94 14.16 -52.35 3 10 1 120 611.767 8 ↓

Analogs

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Popular Name: 2-[(1S,3S,12bS)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-12b-ethyl-9-methoxy-4-oxo-1,2,3,6, 2-[(1S,3S,12bS)-1-[4-(cyclopropa…

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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) 2.97 11.03 -32.28 2 11 0 128 640.785 9 ↓
Lo Low (pH 4.5-6) 2.97 11.39 -58.84 3 11 1 129 641.793 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R,12bS)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-12b-ethyl-9-methoxy-4-oxo-1,2,3,6, 2-[(1S,3R,12bS)-1-[4-(cyclopropa…

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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) 2.97 13.08 -32.64 2 11 0 128 640.785 9 ↓
Lo Low (pH 4.5-6) 2.97 13.42 -54.2 3 11 1 129 641.793 9 ↓

Parameters Provided:

ring.id = 476492
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 = 476492 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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