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

Analogs

31703491
31703491
31703494
31703494

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.21 5.42 -16.94 0 8 0 87 395.481 4 ↓

Analogs

37822805
37822805
37827021
37827021

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Popular Name: (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (4-propylpiperazin-1-yl)-(1,2,3,…

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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) 2.02 7.66 -42.7 2 4 1 37 288.415 3 ↓
Mid Mid (pH 6-8) 2.02 5.46 -8.78 1 4 0 36 287.407 3 ↓

Analogs

37822805
37822805
37827021
37827021
35728208
35728208
19722832
19722832

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (4-ethylpiperazin-1-yl)-(1,2,3,4…

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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) 1.52 6.93 -42 2 4 1 37 274.388 2 ↓
Mid Mid (pH 6-8) 1.52 4.71 -8.91 1 4 0 36 273.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-1-yl]ethanone 1-[4-(1,2,3,4-tetrahydroquinolin…

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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) 0.50 5.31 -15.37 1 5 0 53 287.363 1 ↓

Analogs

19722832
19722832
35728208
35728208
37323256
37323256
36189988
36189988
37323254
37323254

Draw Identity 99% 90% 80% 70%

Popular Name: (4-prop-2-ynylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (4-prop-2-ynylpiperazin-1-yl)-(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) 1.30 5.22 -9.58 1 4 0 36 283.375 2 ↓
Lo Low (pH 4.5-6) 1.30 7.47 -42.92 2 4 1 37 284.383 2 ↓

Parameters Provided:

ring.id = 75715
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 = 75715 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=75715&filter.purchasability=annotated

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