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

Analogs

36213663
36213663
43219683
43219683
20740110
20740110
20739172
20739172
33677772
33677772

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitro-phenyl]BLAHdione [4-[4-(3,4-dichlorophenyl)pipera…

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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) 5.40 14.56 -16.94 0 8 0 90 513.381 4 ↓

Analogs

36213653
36213653
36213663
36213663
43219683
43219683
20740254
20740254
20740377
20740377

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-phenyl]BLAHdione [4-[4-(2,3-dimethylphenyl)pipera…

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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) 4.92 15.13 -14.73 0 8 0 90 472.545 4 ↓

Analogs

20740323
20740323

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3-methoxyphenyl)piperazin-1-yl]-3-nitro-phenyl]BLAHdione [4-[4-(3-methoxyphenyl)piperazin…

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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) 4.15 12.39 -16.71 0 9 0 99 474.517 5 ↓

Analogs

36213663
36213663
43219683
43219683
20740368
20740368
4684190
4684190
20740428
20740428

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(4-acetylphenyl)piperazin-1-yl]-3-nitro-phenyl]BLAHdione [4-[4-(4-acetylphenyl)piperazin-…

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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) 4.01 13.6 -20.18 0 9 0 107 486.528 5 ↓

Analogs

36213633
36213633
20740377
20740377

Draw Identity 99% 90% 80% 70%

Popular Name: [3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]BLAHdione [3-nitro-4-[4-[3-(trifluoromethy…

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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) 4.99 14.11 -16.11 0 8 0 90 512.488 5 ↓

Analogs

43219683
43219683
36213616
36213616
36213633
36213633
36213650
36213650

Draw Identity 99% 90% 80% 70%

Popular Name: [3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]BLAHdione [3-nitro-4-[4-(4-nitrophenyl)pip…

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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) 4.07 13.82 -20.04 0 11 0 136 489.488 5 ↓

Parameters Provided:

ring.id = 85204
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 = 85204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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