UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-aminophenyl)-N-(1-ethyl-4-piperidyl)-N-methyl-methanesulfonamide 1-(4-aminophenyl)-N-(1-ethyl-4-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) 1.18 4.84 -46.59 3 5 1 68 312.459 5 ↓
Hi High (pH 8-9.5) 1.18 2.61 -11.32 2 5 0 67 311.451 5 ↓

Analogs

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Popular Name: 1-(3-aminophenyl)-N-(1-ethyl-4-piperidyl)-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-(1-ethyl-4-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) 1.16 4.83 -47.01 3 5 1 68 312.459 5 ↓
Hi High (pH 8-9.5) 1.16 2.6 -11.27 2 5 0 67 311.451 5 ↓

Analogs

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Popular Name: 2-[4-[(3-fluorophenyl)methylsulfonylamino]-1-piperidyl]-N-propyl-acetamide 2-[4-[(3-fluorophenyl)methylsulf…

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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) 2.11 4.58 -56.55 3 6 1 80 372.486 8 ↓
Mid Mid (pH 6-8) 2.11 2.4 -18.21 2 6 0 79 371.478 8 ↓

Analogs

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Popular Name: N-[(3R,4S)-1,3-dimethyl-4-piperidyl]-1-phenyl-methanesulfonamide N-[(3R,4S)-1,3-dimethyl-4-piperi…

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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) 1.96 5.51 -45.59 2 4 1 51 283.417 4 ↓

Analogs

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Popular Name: N-[(3S,4S)-1,3-dimethyl-4-piperidyl]-1-phenyl-methanesulfonamide N-[(3S,4S)-1,3-dimethyl-4-piperi…

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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) 1.96 5.24 -47.25 2 4 1 51 283.417 4 ↓

Analogs

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Popular Name: N-[1-(2-ethylbutanoyl)-4-piperidyl]-1-(3-fluorophenyl)methanesulfonamide N-[1-(2-ethylbutanoyl)-4-piperid…

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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) 3.08 6.14 -16.79 1 5 0 66 370.49 7 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-N-isobutyl-N-(1-methyl-4-piperidyl)methanesulfonamide 1-(3-fluorophenyl)-N-isobutyl-N-…

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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 8.69 -50.94 1 4 1 42 343.488 6 ↓
Hi High (pH 8-9.5) 2.99 6.07 -10.76 0 4 0 41 342.48 6 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-N-[1-(2-methoxyacetyl)-4-piperidyl]methanesulfonamide 1-(3-fluorophenyl)-N-[1-(2-metho…

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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) 0.93 3.76 -20.66 1 6 0 76 344.408 6 ↓

Analogs

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Popular Name: N-[1-(2-methoxyacetyl)-4-piperidyl]-1-(o-tolyl)methanesulfonamide N-[1-(2-methoxyacetyl)-4-piperid…

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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) 1.19 4.34 -19.46 1 6 0 76 340.445 6 ↓

Analogs

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Popular Name: 1-(4-aminophenyl)-N-(1-ethyl-4-piperidyl)methanesulfonamide 1-(4-aminophenyl)-N-(1-ethyl-4-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) 0.94 3.07 -48.45 4 5 1 77 298.432 5 ↓

Analogs

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Popular Name: 1-(3-aminophenyl)-N-(1-ethyl-4-piperidyl)methanesulfonamide 1-(3-aminophenyl)-N-(1-ethyl-4-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) 0.92 3.06 -48.84 4 5 1 77 298.432 5 ↓

Analogs

44679042
44679042
44679043
44679043

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Popular Name: 1-(2-cyanophenyl)-N-(1-methyl-4-piperidyl)methanesulfonamide 1-(2-cyanophenyl)-N-(1-methyl-4-…

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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) 1.19 4.76 -47.63 2 5 1 74 294.4 4 ↓

Analogs

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Popular Name: 1-(4-cyanophenyl)-N-(1-methyl-4-piperidyl)methanesulfonamide 1-(4-cyanophenyl)-N-(1-methyl-4-…

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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) 1.24 4.92 -54.42 2 5 1 74 294.4 4 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-N-methyl-N-(1-methyl-4-piperidyl)methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-meth…

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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) 0.89 4.33 -99.49 4 5 2 69 313.467 5 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-N-(1-methyl-4-piperidyl)methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-(1-m…

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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) 0.65 2.56 -101.63 5 5 2 78 299.44 5 ↓

Analogs

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Popular Name: 1-(4-aminophenyl)-N-(1-propyl-4-piperidyl)methanesulfonamide 1-(4-aminophenyl)-N-(1-propyl-4-…

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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) 1.44 3.81 -49.26 4 5 1 77 312.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminophenyl)-N-(1-propyl-4-piperidyl)methanesulfonamide 1-(3-aminophenyl)-N-(1-propyl-4-…

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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) 1.42 3.8 -49.65 4 5 1 77 312.459 6 ↓

Parameters Provided:

ring.id = 62975
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 = 62975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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