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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

9560452
9560452
9560453
9560453
9560454
9560454

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-(4-phenylpiperazin-1-yl)carbonyl-BLAHone diethoxy-(4-phenylpiperazin-1-yl…

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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) 3.58 -1.22 -21.01 0 7 0 62 525.649 6 ↓

Analogs

9560453
9560453
9560454
9560454
9560451
9560451

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-(4-phenylpiperazin-1-yl)carbonyl-BLAHone diethoxy-(4-phenylpiperazin-1-yl…

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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) 3.58 -2.33 -13.64 0 7 0 62 525.649 6 ↓

Analogs

9560454
9560454
9560451
9560451
9560452
9560452

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-(4-phenylpiperazin-1-yl)carbonyl-BLAHone diethoxy-(4-phenylpiperazin-1-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.58 -2.01 -13.23 0 7 0 62 525.649 6 ↓

Analogs

9560451
9560451
9560452
9560452
9560453
9560453

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-(4-phenylpiperazin-1-yl)carbonyl-BLAHone diethoxy-(4-phenylpiperazin-1-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.58 -1.24 -21.04 0 7 0 62 525.649 6 ↓

Analogs

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Popular Name: (13R,13aS)-2,3-diethoxy-13-[(3R)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroiso (13R,13aS)-2,3-diethoxy-13-[(3R)…

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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) 4.33 15.22 -9.87 0 7 0 62 553.703 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (13R,13aR)-2,3-diethoxy-13-[(3R)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroiso (13R,13aR)-2,3-diethoxy-13-[(3R)…

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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) 4.33 15.05 -11.26 0 7 0 62 553.703 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (13S,13aS)-2,3-diethoxy-13-[(3R)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroiso (13S,13aS)-2,3-diethoxy-13-[(3R)…

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Activity (Go SEA)

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) 4.33 15.05 -11.3 0 7 0 62 553.703 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (13S,13aR)-2,3-diethoxy-13-[(3R)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroiso (13S,13aR)-2,3-diethoxy-13-[(3R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.33 15.28 -18.91 0 7 0 62 553.703 6 ↓

Analogs

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Popular Name: (13R,13aS)-2,3-diethoxy-13-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroisoquinoli (13R,13aS)-2,3-diethoxy-13-[4-(4…

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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) 3.74 14.04 -21.67 0 7 0 62 543.639 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (13R,13aR)-2,3-diethoxy-13-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroisoquinoli (13R,13aR)-2,3-diethoxy-13-[4-(4…

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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) 3.74 13.62 -12.78 0 7 0 62 543.639 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (13S,13aS)-2,3-diethoxy-13-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroisoquinoli (13S,13aS)-2,3-diethoxy-13-[4-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.74 13.68 -12.67 0 7 0 62 543.639 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (13S,13aR)-2,3-diethoxy-13-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroisoquinoli (13S,13aR)-2,3-diethoxy-13-[4-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.74 13.65 -10.3 0 7 0 62 543.639 6 ↓

Parameters Provided:

ring.id = 7528
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 = 7528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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