UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27550014
27550014
27550019
27550019
27554227
27554227
27554229
27554229
27554562
27554562

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Popular Name: 1-p-tolyl-3-azabicyclo[3.1.0]hexane 1-p-tolyl-3-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) 2.69 -0.28 -41.26 2 1 1 16 174.267 1 ↓

Analogs

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Popular Name: [4-[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-5-yl]phenyl]methanamine [4-[(1R,5S)-3-methyl-3-azabicycl…

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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) 1.66 6.2 -86.61 4 2 2 32 204.317 2 ↓
Hi High (pH 8-9.5) 1.66 5.8 -36.19 3 2 1 30 203.309 2 ↓

Analogs

34986601
34986601
34986716
34986716
34987000
34987000

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Popular Name: (1R,5S)-5-(3-chloro-4-fluoro-phenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-5-(3-chloro-4-fluoro-phe…

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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 8.73 -40.67 1 1 1 4 226.702 1 ↓
Hi High (pH 8-9.5) 3.25 6.17 -3.14 0 1 0 3 225.694 1 ↓

Analogs

34986596
34986596
34986597
34986597

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Popular Name: (1R,5S)-5-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-5-(3,4-difluorophenyl)-3…

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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) 2.74 8.28 -41.94 1 1 1 4 210.247 1 ↓
Hi High (pH 8-9.5) 2.74 5.73 -4.07 0 1 0 3 209.239 1 ↓

Analogs

34986592
34986592

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Popular Name: (1R,5S)-5-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-5-(2,4-difluorophenyl)-3…

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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) 2.74 8.18 -36.71 1 1 1 4 210.247 1 ↓
Hi High (pH 8-9.5) 2.74 5.62 -3.48 0 1 0 3 209.239 1 ↓

Analogs

34986828
34986828

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Popular Name: (1R,5S)-1-(3-fluoro-4-methyl-phenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-1-(3-fluoro-4-methyl-phe…

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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) 3.02 8.85 -38.84 1 1 1 4 206.284 1 ↓
Hi High (pH 8-9.5) 3.02 6.31 -2.8 0 1 0 3 205.276 1 ↓

Analogs

34986828
34986828

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Popular Name: (1S,5R)-1-(3-fluoro-4-methyl-phenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1S,5R)-1-(3-fluoro-4-methyl-phe…

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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) 3.02 8.85 -38.85 1 1 1 4 206.284 1 ↓
Hi High (pH 8-9.5) 3.02 6.31 -2.8 0 1 0 3 205.276 1 ↓

Analogs

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Popular Name: (1R,5S)-1-(4-fluoro-3-methyl-phenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-1-(4-fluoro-3-methyl-phe…

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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) 3.02 8.84 -39.49 1 1 1 4 206.284 1 ↓
Hi High (pH 8-9.5) 3.02 6.3 -2.6 0 1 0 3 205.276 1 ↓

Analogs

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Popular Name: (1S,5R)-1-(4-fluoro-3-methyl-phenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1S,5R)-1-(4-fluoro-3-methyl-phe…

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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) 3.02 8.84 -39.42 1 1 1 4 206.284 1 ↓
Hi High (pH 8-9.5) 3.02 6.3 -2.61 0 1 0 3 205.276 1 ↓

Analogs

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Popular Name: (1R,5S)-5-(3-chloro-4-nitro-phenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-5-(3-chloro-4-nitro-phen…

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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) 3.05 9.26 -48.56 1 4 1 50 253.709 2 ↓
Hi High (pH 8-9.5) 3.05 6.7 -6.31 0 4 0 49 252.701 2 ↓

Analogs

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Popular Name: (1R,5S)-5-(5-chloro-2,4-dinitro-phenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-5-(5-chloro-2,4-dinitro-…

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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) 2.93 9.47 -47.62 1 7 1 96 298.706 3 ↓
Hi High (pH 8-9.5) 2.93 6.91 -5.66 0 7 0 95 297.698 3 ↓

Analogs

34986723
34986723

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Popular Name: (1R,5S)-5-(2,4-dichlorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (1R,5S)-5-(2,4-dichlorophenyl)-3…

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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) 3.77 8.92 -35.58 1 1 1 4 243.157 1 ↓
Hi High (pH 8-9.5) 3.77 6.37 -2.46 0 1 0 3 242.149 1 ↓

Parameters Provided:

ring.id = 3015
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 = 3015 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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