UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1R,4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]-N-[(2-fluorophenyl)methyl]-N-methyl-methanesulfonamide 1-[(1R,4S)-7,7-dimethyl-2-oxo-no…

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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 8.64 -15.03 0 4 0 54 353.459 5 ↓

Analogs

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Popular Name: 1-[(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]-N-[(2-fluorophenyl)methyl]-N-methyl-methanesulfonamide 1-[(1S,4R)-7,7-dimethyl-2-oxo-no…

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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 8.63 -13.8 0 4 0 54 353.459 5 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]-N-methyl-methanesulfonamide N-[(2-chlorophenyl)methyl]-1-[(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) 3.05 9.42 -15.09 0 4 0 54 369.914 5 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]-N-methyl-methanesulfonamide N-[(2-chlorophenyl)methyl]-1-[(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) 3.05 9.42 -16.81 0 4 0 54 369.914 5 ↓

Analogs

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonamide N-[(4-dimethylaminophenyl)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) 2.28 7.38 -16.6 1 5 0 66 364.511 6 ↓
Lo Low (pH 4.5-6) 2.28 8.16 -60.78 2 5 0 68 365.519 6 ↓

Analogs

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonamide N-[(4-dimethylaminophenyl)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) 2.28 7.39 -16.93 1 5 0 66 364.511 6 ↓
Lo Low (pH 4.5-6) 2.28 8.17 -60.88 2 5 0 68 365.519 6 ↓

Analogs

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Popular Name: (2S)-2-[[(1R,4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methylsulfonylamino]-2-phenyl-acetamide (2S)-2-[[(1R,4S)-7,7-dimethyl-2-…

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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) 1.09 3.81 -16.09 3 6 0 106 364.467 6 ↓

Analogs

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Popular Name: (2S)-2-[[(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]methylsulfonylamino]-2-phenyl-acetamide (2S)-2-[[(1S,4R)-7,7-dimethyl-2-…

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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) 1.09 3.82 -18.38 3 6 0 106 364.467 6 ↓

Analogs

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Popular Name: 1-[(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]-N-[(1R)-1-(3-ethoxyphenyl)ethyl]methanesulfonamide 1-[(1S,4R)-7,7-dimethyl-2-oxo-no…

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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) 3.14 7.82 -17.35 1 5 0 72 379.522 7 ↓

Analogs

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Popular Name: 1-[(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]-N-[(1S)-1-(3-ethoxyphenyl)ethyl]methanesulfonamide 1-[(1S,4R)-7,7-dimethyl-2-oxo-no…

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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) 3.14 7.9 -15.36 1 5 0 72 379.522 7 ↓

Analogs

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Popular Name: N-[[4-(dimethylamino)-3-fluoro-phenyl]methyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesu N-[[4-(dimethylamino)-3-fluoro-p…

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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 7.89 -15.98 1 5 0 66 382.501 6 ↓

Analogs

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Popular Name: N-[[4-(dimethylamino)-3-fluoro-phenyl]methyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesu N-[[4-(dimethylamino)-3-fluoro-p…

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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 7.9 -16.98 1 5 0 66 382.501 6 ↓

Parameters Provided:

ring.id = 110381
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 = 110381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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