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

Analogs

1317600
1317600

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-3-phenyl-chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 4.83 12.57 -42.62 2 4 1 55 372.444 5 ↓
Mid Mid (pH 6-8) 4.83 10.21 -13.5 1 4 0 54 371.436 5 ↓

Analogs

4353830
4353830

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-4-methyl-3-phenyl-chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 5.21 12.6 -41.63 2 4 1 55 386.471 5 ↓
Mid Mid (pH 6-8) 5.21 10.25 -13.07 1 4 0 54 385.463 5 ↓

Analogs

1237115
1237115

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-3-(4-chlorophenyl)-7-hydroxy-chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 5.51 13.09 -43.53 2 4 1 55 406.889 5 ↓
Mid Mid (pH 6-8) 5.51 10.74 -12.88 1 4 0 54 405.881 5 ↓

Analogs

41510780
41510780

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-3-(4-chlorophenyl)-7-hydroxy-4-methyl-chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 5.89 13.11 -42.36 2 4 1 55 420.916 5 ↓
Mid Mid (pH 6-8) 5.89 10.76 -12.29 1 4 0 54 419.908 5 ↓

Analogs

1317655
1317655

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 4.89 11.87 -44.14 2 5 1 64 402.47 6 ↓
Mid Mid (pH 6-8) 4.89 9.51 -14.17 1 5 0 63 401.462 6 ↓

Analogs

4353833
4353833

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-3-(4-methoxyphenyl)-4-methyl-chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 5.26 11.89 -42.93 2 5 1 64 416.497 6 ↓
Mid Mid (pH 6-8) 5.26 9.54 -13.54 1 5 0 63 415.489 6 ↓

Analogs

1237921
1237921

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 4.48 11.79 -47.41 2 6 1 73 432.496 7 ↓
Mid Mid (pH 6-8) 4.48 9.42 -17.04 1 6 0 72 431.488 7 ↓

Analogs

4353835
4353835

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Popular Name: 8-[[benzyl(methyl)amino]methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-chromen-2-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 4.86 11.81 -46.25 2 6 1 73 446.523 7 ↓
Mid Mid (pH 6-8) 4.86 9.46 -16.47 1 6 0 72 445.515 7 ↓

Parameters Provided:

ring.id = 538395
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 = 538395 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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