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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

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methylBLAHone (2,3-dimethyl-4-oxo-5,6,8,9-tetr…

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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) 2.13 9.14 -17.49 0 6 0 60 390.487 2 ↓

Analogs

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Popular Name: 3,8-diazaspiro[4.5]decan-3-ylmethylBLAHone 3,8-diazaspiro[4.5]decan-3-ylmet…

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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) 2.26 7.3 -49.08 2 4 1 42 338.475 2 ↓
Lo Low (pH 4.5-6) 2.26 9.8 -111.97 3 4 2 43 339.483 2 ↓

Analogs

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Popular Name: [4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methylBLAHone [4-[2-(1,2,4-triazol-1-yl)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) 1.26 8.46 -17.13 0 7 0 59 378.48 5 ↓
Mid Mid (pH 6-8) 1.26 10.71 -55.64 1 7 1 60 379.488 5 ↓

Analogs

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Popular Name: [4-(2-methoxyacetyl)-1,4-diazepan-1-yl]methylBLAHone [4-(2-methoxyacetyl)-1,4-diazepa…

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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) 1.69 8.12 -17.13 0 6 0 55 369.465 4 ↓

Analogs

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Popular Name: [cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]methylBLAHone [cyclopropyl-[(1-methylpyrazol-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) 2.36 8.7 -12.16 0 5 0 43 348.45 5 ↓

Analogs

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Popular Name: [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]methylBLAHone [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,…

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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) 3.56 7.25 -10.37 1 4 0 45 352.478 2 ↓
Lo Low (pH 4.5-6) 3.56 9.06 -46.4 2 4 1 47 353.486 2 ↓

Parameters Provided:

ring.id = 419570
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 = 419570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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