UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,3S,5S)-4-[(2S)-2-amino-2-[1-(hydroxymethyl)cyclobutyl]acetyl]-4-azabicyclo[3.1.0]hexane-3-carbon (1S,3S,5S)-4-[(2S)-2-amino-2-[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) -0.86 1.24 -9.85 3 5 0 90 249.314 3 ↓

Analogs

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Popular Name: (1S,3S,5S)-4-[(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]acetyl]-4-azabicyclo[3.1.0]hexane-3-carbo (1S,3S,5S)-4-[(2S)-2-amino-2-[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) -0.12 1.49 -11.17 3 5 0 90 263.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S,5S)-4-[(2S)-2-amino-2-[1-(hydroxymethyl)cyclohexyl]acetyl]-4-azabicyclo[3.1.0]hexane-3-carbon (1S,3S,5S)-4-[(2S)-2-amino-2-[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) 0.39 3.06 -10.75 3 5 0 90 277.368 3 ↓

Analogs

20285578
20285578
32874051
32874051
32874052
32874052

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Popular Name: (1S,3S,5S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (1S,3S,5S)-2-(tert-Butoxycarbony…

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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) -0.11 5.58 -52.79 0 5 -1 70 226.252 3 ↓

Analogs

39087312
39087312
39643898
39643898
39643899
39643899

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Popular Name: methyl 2-azabicyclo[3.1.0]hexane-1-carboxylate methyl 2-azabicyclo[3.1.0]hexane…

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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) 0.76 3.17 -38.36 2 3 1 43 142.178 2 ↓

Analogs

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Popular Name: 2-azabicyclo[3.1.0]hexane 2-azabicyclo[3.1.0]hexane

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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) 0.83 2.53 -32.61 2 1 1 17 84.142 0 ↓

Analogs

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Popular Name: 2-azabicyclo[3.1.0]hexane 2-azabicyclo[3.1.0]hexane

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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) 0.83 2.53 -32.61 2 1 1 17 84.142 0 ↓

Parameters Provided:

ring.id = 11242
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 = 11242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=11242&filter.purchasability=annotated

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