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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

19682131
19682131

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 4.54 9.83 -47.58 2 6 1 67 457.55 6 ↓
Mid Mid (pH 6-8) 4.54 7.56 -13.2 1 6 0 66 456.542 6 ↓
Mid Mid (pH 6-8) 4.54 9.81 -46.7 2 6 1 67 457.55 6 ↓

Analogs

19682125
19682125

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-methyl-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 4.76 10.79 -49.62 2 6 1 67 471.577 6 ↓
Mid Mid (pH 6-8) 4.76 10.76 -50.84 2 6 1 67 471.577 6 ↓
Mid Mid (pH 6-8) 4.76 8.51 -13.27 1 6 0 66 470.569 6 ↓

Analogs

19790367
19790367

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 5.67 10.99 -45.65 2 6 1 67 525.547 7 ↓
Hi High (pH 8-9.5) 5.67 9.27 -42.44 0 6 -1 69 523.531 7 ↓
Mid Mid (pH 6-8) 5.67 8.69 -10.99 1 6 0 66 524.539 7 ↓

Analogs

20412387
20412387

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-2-methyl-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 5.43 11.92 -48.99 2 5 1 58 475.996 5 ↓
Mid Mid (pH 6-8) 5.43 9.64 -10.29 1 5 0 57 474.988 5 ↓
Mid Mid (pH 6-8) 5.43 11.89 -48.51 2 5 1 58 475.996 5 ↓

Analogs

20391511
20391511

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 4.58 9.79 -49.99 2 6 1 67 457.55 6 ↓
Mid Mid (pH 6-8) 4.58 9.77 -47.86 2 6 1 67 457.55 6 ↓
Mid Mid (pH 6-8) 4.58 7.52 -13.05 1 6 0 66 456.542 6 ↓

Analogs

19682137
19682137

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-methyl-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 4.81 10.69 -49.45 2 6 1 67 471.577 6 ↓
Mid Mid (pH 6-8) 4.81 8.41 -11.6 1 6 0 66 470.569 6 ↓
Mid Mid (pH 6-8) 4.81 10.66 -49.53 2 6 1 67 471.577 6 ↓

Analogs

20390542
20390542

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 5.72 10.96 -46.01 2 6 1 67 525.547 7 ↓
Hi High (pH 8-9.5) 5.72 9.24 -38.54 0 6 -1 69 523.531 7 ↓
Mid Mid (pH 6-8) 5.72 8.66 -9.37 1 6 0 66 524.539 7 ↓

Analogs

20567639
20567639
20567647
20567647

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 4.17 9.71 -52.74 2 7 1 77 487.576 7 ↓
Mid Mid (pH 6-8) 4.17 9.69 -51.38 2 7 1 77 487.576 7 ↓
Mid Mid (pH 6-8) 4.17 7.43 -14.98 1 7 0 75 486.568 7 ↓

Analogs

20392972
20392972

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 4.40 10.62 -53.1 2 7 1 77 501.603 7 ↓
Mid Mid (pH 6-8) 4.40 8.32 -14.47 1 7 0 75 500.595 7 ↓
Mid Mid (pH 6-8) 4.40 10.58 -52.72 2 7 1 77 501.603 7 ↓

Analogs

20150227
20150227

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-bromophenyl)-7-hydroxy-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 5.34 11.09 -49.76 2 5 1 58 506.42 5 ↓
Mid Mid (pH 6-8) 5.34 8.84 -10.03 1 5 0 57 505.412 5 ↓
Mid Mid (pH 6-8) 5.34 11.12 -51.66 2 5 1 58 506.42 5 ↓

Analogs

20170841
20170841

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Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-bromophenyl)-7-hydroxy-2-methyl-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…

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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) 5.56 12.04 -48.94 2 5 1 58 520.447 5 ↓
Mid Mid (pH 6-8) 5.56 12.01 -48.55 2 5 1 58 520.447 5 ↓
Mid Mid (pH 6-8) 5.56 9.74 -10.15 1 5 0 57 519.439 5 ↓

Parameters Provided:

ring.id = 549984
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 = 549984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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