UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2278
2278
35999642
35999642
36294079
36294079

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Popular Name: 2-(2-chlorophenyl)-2-methylamino-cyclohexan-1-one 2-(2-chlorophenyl)-2-methylamino…

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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) 2.96 6.5 -45.47 2 2 1 34 238.738 2 ↓

Analogs

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Popular Name: (2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexanone (2S)-2-[3-(trifluoromethoxy)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) 3.91 7.25 -6.04 0 2 0 26 258.239 3 ↓

Analogs

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Popular Name: (2R)-2-[3-(trifluoromethoxy)phenyl]cyclohexanone (2R)-2-[3-(trifluoromethoxy)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) 3.91 7.25 -6.04 0 2 0 26 258.239 3 ↓

Analogs

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Popular Name: Norketamine Norketamine

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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 4.86 -6.77 2 2 0 43 223.703 1 ↓

Analogs

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Popular Name: Norketamine Norketamine

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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 4.85 -6.27 2 2 0 43 223.703 1 ↓

Analogs

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Popular Name: (2S)-2-(4-dimethylaminophenyl)cyclohexanone (2S)-2-(4-dimethylaminophenyl)cy…

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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) 3.06 7.88 -7.33 0 2 0 20 217.312 2 ↓
Lo Low (pH 4.5-6) 3.06 8.64 -20.05 1 2 0 22 218.32 2 ↓

Analogs

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Popular Name: (2R)-2-(4-dimethylaminophenyl)cyclohexanone (2R)-2-(4-dimethylaminophenyl)cy…

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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) 3.06 7.88 -7.38 0 2 0 20 217.312 2 ↓
Lo Low (pH 4.5-6) 3.06 8.64 -20.08 1 2 0 22 218.32 2 ↓

Analogs

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Popular Name: (2S)-2-(3-nitrophenyl)cyclohexanone (2S)-2-(3-nitrophenyl)cyclohexanone

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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) 2.90 8.17 -8.8 0 4 0 63 219.24 2 ↓

Analogs

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Popular Name: (2R)-2-(3-nitrophenyl)cyclohexanone (2R)-2-(3-nitrophenyl)cyclohexanone

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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) 2.90 8.17 -8.8 0 4 0 63 219.24 2 ↓

Analogs

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Popular Name: (2S)-2-(3,5-dichlorophenyl)cyclohexanone (2S)-2-(3,5-dichlorophenyl)cyclo…

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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) 4.25 8.49 -5.79 0 1 0 17 243.133 1 ↓

Analogs

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Popular Name: (2R)-2-(3,5-dichlorophenyl)cyclohexanone (2R)-2-(3,5-dichlorophenyl)cyclo…

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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) 4.25 8.49 -5.79 0 1 0 17 243.133 1 ↓

Analogs

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Popular Name: (2S)-2-(2,6-difluorophenyl)cyclohexanone (2S)-2-(2,6-difluorophenyl)cyclo…

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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) 2.72 7.47 -7.24 0 1 0 17 210.223 1 ↓

Analogs

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Popular Name: (2R)-2-(2,6-difluorophenyl)cyclohexanone (2R)-2-(2,6-difluorophenyl)cyclo…

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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) 2.72 7.47 -7.24 0 1 0 17 210.223 1 ↓

Analogs

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Popular Name: 2-[[(1S)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]acetamide 2-[[(1S)-1-(2-chlorophenyl)-2-ox…

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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) 1.94 3.28 -8.99 2 4 0 63 294.782 4 ↓
Lo Low (pH 4.5-6) 1.94 4.92 -35.25 3 4 1 65 295.79 4 ↓

Analogs

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Popular Name: 2-[[(1R)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]acetamide 2-[[(1R)-1-(2-chlorophenyl)-2-ox…

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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) 1.94 3.09 -10.82 2 4 0 63 294.782 4 ↓
Lo Low (pH 4.5-6) 1.94 4.93 -37.76 3 4 1 65 295.79 4 ↓

Analogs

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Popular Name: (2S)-2-(3-chlorophenyl)-2-(methylamino)cyclohexanone (2S)-2-(3-chlorophenyl)-2-(methy…

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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) 2.99 5.63 -5.37 1 2 0 29 237.73 2 ↓

Analogs

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Popular Name: (2R)-2-(3-chlorophenyl)-2-(methylamino)cyclohexanone (2R)-2-(3-chlorophenyl)-2-(methy…

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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) 2.99 5.79 -7.03 1 2 0 29 237.73 2 ↓

Parameters Provided:

ring.id = 296
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 = 296 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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