UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,5S)-8-(4-methyl-3-nitro-phenyl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-(4-methyl-3-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) 2.02 7.27 -52.44 3 5 1 77 262.333 2 ↓

Analogs

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Popular Name: 2-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-5-chloro-benzonitrile 2-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 2.04 7.52 -46.4 3 3 1 55 262.764 1 ↓

Analogs

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Popular Name: 2-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-5-chloro-benzamide 2-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 1.11 3.48 -49.9 5 4 1 74 280.779 2 ↓

Analogs

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Popular Name: 2-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-6-chloro-benzonitrile 2-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 2.02 7.43 -48.12 3 3 1 55 262.764 1 ↓

Analogs

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Popular Name: 2-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-6-chloro-benzamide 2-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 1.08 2.87 -56.31 5 4 1 74 280.779 2 ↓

Analogs

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Popular Name: 8-phenyl-8-azabicyclo[3.2.1]octan-3-ol 8-phenyl-8-azabicyclo[3.2.1]octa…

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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) 2.17 3.01 -5.43 1 2 0 23 203.285 1 ↓

Analogs

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Popular Name: (1R,5S)-8-[2-fluoro-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[2-fluoro-5-(trifluoro…

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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) 2.67 6.66 -47.57 3 2 1 31 289.296 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[2-fluoro-5-(trifluoro…

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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) 3.58 9.04 -37.75 2 2 1 20 303.323 3 ↓

Analogs

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Popular Name: 2-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-4-chloro-benzonitrile 2-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 2.04 6.71 -50.96 3 3 1 55 262.764 1 ↓

Analogs

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Popular Name: 2-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-4-chloro-benzamide 2-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 1.11 3.47 -47.87 5 4 1 74 280.779 2 ↓

Analogs

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Popular Name: 4-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-chloro-benzonitrile 4-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 2.04 6.7 -53.38 3 3 1 55 262.764 1 ↓

Analogs

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Popular Name: 4-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-chloro-benzamide 4-[(1R,5S)-3-amino-8-azabicyclo[…

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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) 1.11 3.12 -52.18 5 4 1 74 280.779 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[4-(diethylamino)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[4-(diethylamino)pheny…

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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) 2.54 7.54 -73.06 4 3 0 35 275.44 4 ↓
Mid Mid (pH 6-8) 2.54 7.45 -45.74 3 3 1 34 274.432 4 ↓

Analogs

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Popular Name: (1R,5S)-8-[4-(diethylamino)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[4-(diethylamino)pheny…

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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) 3.45 10.01 -61.88 3 3 0 24 289.467 5 ↓
Mid Mid (pH 6-8) 3.45 9.91 -38.72 2 3 1 23 288.459 5 ↓

Analogs

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Popular Name: 4-amino-2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]benzoic 4-amino-2-[(1R,5S)-3-hydroxy-8-a…

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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) 1.27 3.75 -53.34 3 5 -1 90 261.301 2 ↓

Parameters Provided:

ring.id = 6143
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 = 6143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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