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

Analogs

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Popular Name: 8-[(benzylamino)methyl]-7-hydroxy-chromen-2-one 8-[(benzylamino)methyl]-7-hydrox…

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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) 2.86 6.95 -45.43 3 4 1 67 282.319 4 ↓

Analogs

41510784
41510784

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Popular Name: methyl 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) 3.46 11.67 -45.82 2 6 1 81 396.463 8 ↓
Mid Mid (pH 6-8) 3.46 9.32 -16.16 1 6 0 80 395.455 8 ↓

Analogs

41514786
41514786
41510788
41510788

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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) 3.83 12.59 -45.59 2 6 1 81 410.49 9 ↓
Mid Mid (pH 6-8) 3.83 10.25 -15.94 1 6 0 80 409.482 9 ↓

Analogs

41510792
41510792

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Popular Name: isopropyl isopropyl

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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) 4.20 13.29 -45.3 2 6 1 81 424.517 9 ↓
Mid Mid (pH 6-8) 4.20 10.95 -15.89 1 6 0 80 423.509 9 ↓

Analogs

41510795
41510795
41514780
41514780

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Popular Name: propyl propyl

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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) 4.34 13.4 -45.42 2 6 1 81 424.517 10 ↓
Mid Mid (pH 6-8) 4.34 11.04 -15.74 1 6 0 80 423.509 10 ↓

Analogs

41510799
41510799

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 3.25 11.82 -46.95 2 7 1 90 440.516 11 ↓
Mid Mid (pH 6-8) 3.25 9.47 -17.24 1 7 0 89 439.508 11 ↓

Analogs

41510811
41510811

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

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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) 2.94 8.96 -44.31 2 5 1 72 338.383 5 ↓
Hi High (pH 8-9.5) 2.94 7.35 -36.68 0 5 -1 74 336.367 5 ↓
Hi High (pH 8-9.5) 2.94 9.69 -22.56 1 5 0 75 337.375 5 ↓

Parameters Provided:

ring.id = 222288
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 = 222288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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