UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-tetralin-1-yl]acetamide 2-(3-aminophenyl)-N-[(1S)-tetral…

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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) 1.74 6.87 -10.43 3 3 0 55 280.371 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-tetralin-1-yl]acetamide 2-(3-aminophenyl)-N-[(1R)-tetral…

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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) 1.74 6.87 -10.48 3 3 0 55 280.371 3 ↓

Analogs

6252085
6252085

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Popular Name: 2-(4-aminophenyl)-N-[(1S)-tetralin-1-yl]acetamide 2-(4-aminophenyl)-N-[(1S)-tetral…

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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) 1.76 6.88 -10.31 3 3 0 55 280.371 3 ↓

Analogs

6252085
6252085

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Popular Name: 2-(4-aminophenyl)-N-[(1R)-tetralin-1-yl]acetamide 2-(4-aminophenyl)-N-[(1R)-tetral…

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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) 1.76 6.88 -10.32 3 3 0 55 280.371 3 ↓

Analogs

44443088
44443088
6252085
6252085

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Popular Name: (2S)-2-amino-2-phenyl-N-[(1R)-tetralin-1-yl]acetamide (2S)-2-amino-2-phenyl-N-[(1R)-te…

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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) -0.01 6.04 -9.02 3 3 0 55 280.371 3 ↓
Mid Mid (pH 6-8) -0.01 6.36 -45.21 4 3 1 57 281.379 3 ↓

Analogs

44443088
44443088
6252085
6252085

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(1R)-tetralin-1-yl]acetamide (2R)-2-amino-2-phenyl-N-[(1R)-te…

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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) -0.01 6.04 -8.36 3 3 0 55 280.371 3 ↓
Mid Mid (pH 6-8) -0.01 6.36 -45.92 4 3 1 57 281.379 3 ↓

Analogs

44443088
44443088
6252085
6252085

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[(1S)-tetralin-1-yl]acetamide (2S)-2-amino-2-phenyl-N-[(1S)-te…

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Activity (Go SEA)

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) -0.01 6.04 -9.02 3 3 0 55 280.371 3 ↓
Mid Mid (pH 6-8) -0.01 6.36 -45.92 4 3 1 57 281.379 3 ↓

Analogs

44443088
44443088
6252085
6252085

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[(1S)-tetralin-1-yl]acetamide (2R)-2-amino-2-phenyl-N-[(1S)-te…

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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) -0.01 6.04 -8.17 3 3 0 55 280.371 3 ↓
Mid Mid (pH 6-8) -0.01 6.36 -45.2 4 3 1 57 281.379 3 ↓

Analogs

4904932
4904932
4904934
4904934

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Popular Name: N-[(1R)-1-methyltetralin-1-yl]-2-(p-tolyl)acetamide N-[(1R)-1-methyltetralin-1-yl]-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) 4.48 10.3 -7.24 1 2 0 29 293.41 3 ↓

Analogs

4904932
4904932
4904934
4904934

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Popular Name: N-[(1S)-1-methyltetralin-1-yl]-2-(p-tolyl)acetamide N-[(1S)-1-methyltetralin-1-yl]-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) 4.48 10.31 -9.89 1 2 0 29 293.41 3 ↓

Analogs

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Popular Name: N-[(1S)-1-methyltetralin-1-yl]-2-(4-nitrophenyl)acetamide N-[(1S)-1-methyltetralin-1-yl]-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) 3.99 10.32 -14.52 1 5 0 75 324.38 4 ↓

Analogs

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Popular Name: N-[(1R)-1-methyltetralin-1-yl]-2-(4-nitrophenyl)acetamide N-[(1R)-1-methyltetralin-1-yl]-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) 3.99 10.34 -11.82 1 5 0 75 324.38 4 ↓

Analogs

14245549
14245549

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Popular Name: 2-(2-chlorophenyl)-N-methyl-N-[(1R)-tetralin-1-yl]acetamide 2-(2-chlorophenyl)-N-methyl-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) 4.46 11.85 -9.07 0 2 0 20 313.828 3 ↓

Analogs

14245548
14245548

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Popular Name: 2-(2-chlorophenyl)-N-methyl-N-[(1S)-tetralin-1-yl]acetamide 2-(2-chlorophenyl)-N-methyl-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) 4.46 11.83 -9.06 0 2 0 20 313.828 3 ↓

Parameters Provided:

ring.id = 36157
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 = 36157 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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