UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11816836
11816836

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Popular Name: 1-[3-[[5-[(5R)-3-ethyl3,7-diazaspiro[4.4]nonane-7-carbonyl]-2H-pyrazol-3-yl]methoxy]phenyl]ethanone 1-[3-[[5-[(5R)-3-ethyl3,7-diazas…

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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) 2.50 -1.31 -53.39 2 7 1 80 397.499 6 ↓

Analogs

11816835
11816835

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Popular Name: 1-[3-[[5-[(5S)-3-ethyl3,7-diazaspiro[4.4]nonane-7-carbonyl]-2H-pyrazol-3-yl]methoxy]phenyl]ethanone 1-[3-[[5-[(5S)-3-ethyl3,7-diazas…

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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) 2.50 -0.99 -53.65 2 7 1 80 397.499 6 ↓

Analogs

11817207
11817207

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Popular Name: (5R)-3-ethyl-7-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3,7-diazaspiro[4.4]nonane (5R)-3-ethyl-7-[5-(4-methoxyphen…

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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) 2.18 -0.95 -40.24 1 6 1 56 340.451 4 ↓

Analogs

11817206
11817206

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Popular Name: (5S)-3-ethyl-7-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3,7-diazaspiro[4.4]nonane (5S)-3-ethyl-7-[5-(4-methoxyphen…

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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) 2.18 -0.83 -39.13 1 6 1 56 340.451 4 ↓

Analogs

11817326
11817326

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Popular Name: 6-[(5R)-3-ethyl-3,7-diazaspiro[4.4]nonan-7-yl]-5-(1-piperidyl)-[1,2,5]oxadiazolo[3,4-e]pyrazine 6-[(5R)-3-ethyl-3,7-diazaspiro[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) 2.59 -1.04 -42.21 1 8 1 76 358.47 3 ↓

Analogs

11817325
11817325

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Popular Name: 6-[(5S)-3-ethyl-3,7-diazaspiro[4.4]nonan-7-yl]-5-(1-piperidyl)-[1,2,5]oxadiazolo[3,4-e]pyrazine 6-[(5S)-3-ethyl-3,7-diazaspiro[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) 2.59 -2.74 -38.54 1 8 1 76 358.47 3 ↓

Analogs

11842723
11842723

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Popular Name: (5S)-3-ethyl-7-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-3,7-diazaspiro[4.4]nonane (5S)-3-ethyl-7-[[3-(2-thienyl)-1…

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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) 2.37 -0.51 -107.38 2 5 2 48 320.462 4 ↓

Analogs

11842722
11842722

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Popular Name: (5R)-3-ethyl-7-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-3,7-diazaspiro[4.4]nonane (5R)-3-ethyl-7-[[3-(2-thienyl)-1…

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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) 2.37 -0.57 -107.42 2 5 2 48 320.462 4 ↓

Analogs

11997659
11997659

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Popular Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-[(5R)-3-methyl-3,7-diazaspiro[4.4 [1-[4-(benzofuran-2-yl)pyrimidin…

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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) 2.45 1.19 -50.46 1 8 1 81 469.569 4 ↓

Analogs

11997655
11997655

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Popular Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-[(5S)-3-methyl-3,7-diazaspiro[4.4 [1-[4-(benzofuran-2-yl)pyrimidin…

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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) 2.45 1.21 -50.15 1 8 1 81 469.569 4 ↓

Analogs

12225650
12225650

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Popular Name: [5-[(2,5-dimethylphenoxy)methyl]isoxazol-3-yl]-[(5R)-3-ethyl-3,7-diazaspiro[4.4]nonan-7-yl]methanone [5-[(2,5-dimethylphenoxy)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) 3.56 10.52 -44.07 1 6 1 60 384.5 5 ↓

Analogs

12225640
12225640

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Popular Name: [5-[(2,5-dimethylphenoxy)methyl]isoxazol-3-yl]-[(5S)-3-ethyl-3,7-diazaspiro[4.4]nonan-7-yl]methanone [5-[(2,5-dimethylphenoxy)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) 3.56 10.53 -42.87 1 6 1 60 384.5 5 ↓

Analogs

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Popular Name: (5S)-7-benzyl-3-methyl-3,7-diazaspiro[4.4]nonane (5S)-7-benzyl-3-methyl-3,7-diaza…

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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) 2.11 6.99 -35.32 1 2 1 8 231.363 2 ↓

Analogs

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Popular Name: (5R)-7-benzyl-3-methyl-3,7-diazaspiro[4.4]nonane (5R)-7-benzyl-3-methyl-3,7-diaza…

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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) 2.11 6.99 -36.12 1 2 1 8 231.363 2 ↓

Parameters Provided:

ring.id = 49505
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 = 49505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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