UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34547652
34547652

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Popular Name: 1-(7-methoxy-1-methylene-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone 1-(7-methoxy-1-methylene-4,9-dih…

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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 5.86 -13.1 1 4 0 45 256.305 1 ↓

Analogs

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Popular Name: 3-cyclohexyl-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[4,3-a]isoquinoline-1-carbonitrile 3-cyclohexyl-9,10-dimethoxy-2,4,…

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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) 3.31 8.46 -11.35 0 5 0 49 353.466 3 ↓

Analogs

26505097
26505097
19908767
19908767

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[4,3-a]isoquinoline-1-carb 3-[2-(3,4-dimethoxyphenyl)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) 2.85 9.23 -16.71 0 7 0 67 435.524 7 ↓

Analogs

12402477
12402477

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Popular Name: (2R)-2-hydroxy-5,5-dimethyl-1-(2-quinolyl)-2-(trifluoromethyl)-6H-benzo[g]indolizin-3-one (2R)-2-hydroxy-5,5-dimethyl-1-(2…

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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) 3.93 0.64 -13.43 1 4 0 53 424.422 2 ↓
Lo Low (pH 4.5-6) 3.93 0.7 -27.97 2 4 1 55 425.43 2 ↓

Analogs

12402476
12402476

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Popular Name: (2S)-2-hydroxy-5,5-dimethyl-1-(2-quinolyl)-2-(trifluoromethyl)-6H-benzo[g]indolizin-3-one (2S)-2-hydroxy-5,5-dimethyl-1-(2…

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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) 3.93 0.57 -11.9 1 4 0 53 424.422 2 ↓
Lo Low (pH 4.5-6) 3.93 0.65 -28.39 2 4 1 55 425.43 2 ↓

Analogs

36635922
36635922

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Popular Name: 1-phenyl-2-BLAHyl-ethanone 1-phenyl-2-BLAHyl-ethanone

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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 13.14 -8.45 0 4 0 39 395.458 3 ↓

Analogs

36635921
36635921

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Popular Name: 1-phenyl-2-BLAHyl-ethanone 1-phenyl-2-BLAHyl-ethanone

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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 13.14 -8.38 0 4 0 39 395.458 3 ↓

Analogs

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Popular Name: (2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2,4-dimethylphenyl)acetamide (2Z)-2-(6,7-dimethoxy-3,3-dimeth…

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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) 3.99 9.24 -11.41 2 5 0 60 380.488 4 ↓

Analogs

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Popular Name: (1S,3S,10bS)-3-benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile (1S,3S,10bS)-3-benzoyl-1,2,3,10b…

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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) 3.17 11.11 -14.01 0 3 0 44 300.361 2 ↓

Analogs

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Popular Name: (1S,3R,10bS)-3-benzoyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile (1S,3R,10bS)-3-benzoyl-1,2,3,10b…

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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) 3.17 11.1 -14.28 0 3 0 44 300.361 2 ↓

Parameters Provided:

ring.id = 53311
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 = 53311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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