UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36535132
36535132

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Popular Name: N,3-dimethyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]but-2-enamide N,3-dimethyl-N-[(1R)-2-oxo-1-(9-…

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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) 5.25 11.35 -22.25 1 6 0 84 514.647 7 ↓

Analogs

36535131
36535131

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Popular Name: N,3-dimethyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]but-2-enamide N,3-dimethyl-N-[(1S)-2-oxo-1-(9-…

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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) 5.25 11.52 -24.76 1 6 0 84 514.647 7 ↓

Analogs

36535442
36535442
36573878
36573878
36573879
36573879

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Popular Name: N-methyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]butanamide N-methyl-N-[(1S)-2-oxo-1-(9-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) 5.01 11.01 -24.76 1 6 0 84 502.636 8 ↓

Analogs

36573878
36573878
36573879
36573879
36535441
36535441

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Popular Name: N-methyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]butanamide N-methyl-N-[(1R)-2-oxo-1-(9-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) 5.01 10.58 -22.91 1 6 0 84 502.636 8 ↓

Analogs

36535752
36535752

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Popular Name: (2R)-2-[(2-chloroacetyl)-methyl-amino]-2-(9-phenanthryl)-N-(p-tolylsulfonylmethyl)acetamide (2R)-2-[(2-chloroacetyl)-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) 4.18 9.61 -24.39 1 6 0 84 509.027 7 ↓

Analogs

36535751
36535751

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Popular Name: (2S)-2-[(2-chloroacetyl)-methyl-amino]-2-(9-phenanthryl)-N-(p-tolylsulfonylmethyl)acetamide (2S)-2-[(2-chloroacetyl)-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) 4.18 10.08 -25.97 1 6 0 84 509.027 7 ↓

Analogs

36536321
36536321

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Popular Name: (2R)-2-[(2-hydroxyacetyl)-methyl-amino]-2-(9-phenanthryl)-N-(p-tolylsulfonylmethyl)acetamide (2R)-2-[(2-hydroxyacetyl)-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) 2.95 6.82 -28.33 2 7 0 104 490.581 7 ↓

Analogs

36536320
36536320

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Popular Name: (2S)-2-[(2-hydroxyacetyl)-methyl-amino]-2-(9-phenanthryl)-N-(p-tolylsulfonylmethyl)acetamide (2S)-2-[(2-hydroxyacetyl)-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) 2.95 7.63 -28.98 2 7 0 104 490.581 7 ↓

Analogs

36536632
36536632

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Popular Name: N-methyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]hexanamide N-methyl-N-[(1S)-2-oxo-1-(9-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) 6.03 12.85 -20.79 1 6 0 84 530.69 10 ↓

Analogs

36536631
36536631

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Popular Name: N-methyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]hexanamide N-methyl-N-[(1R)-2-oxo-1-(9-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) 6.03 12.44 -18.95 1 6 0 84 530.69 10 ↓

Analogs

36537829
36537829

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Popular Name: N,2-dimethyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]prop-2-enamide N,2-dimethyl-N-[(1R)-2-oxo-1-(9-…

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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) 4.77 10.13 -17.04 1 6 0 84 500.62 7 ↓

Analogs

36537828
36537828

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Popular Name: N,2-dimethyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]prop-2-enamide N,2-dimethyl-N-[(1S)-2-oxo-1-(9-…

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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) 4.77 10.34 -22.35 1 6 0 84 500.62 7 ↓

Analogs

36538141
36538141

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Popular Name: (2R)-2-[(2-methoxyacetyl)-methyl-amino]-2-(9-phenanthryl)-N-(p-tolylsulfonylmethyl)acetamide (2R)-2-[(2-methoxyacetyl)-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) 3.56 10.21 -32.52 1 7 0 93 504.608 8 ↓

Analogs

36538140
36538140

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Popular Name: (2S)-2-[(2-methoxyacetyl)-methyl-amino]-2-(9-phenanthryl)-N-(p-tolylsulfonylmethyl)acetamide (2S)-2-[(2-methoxyacetyl)-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) 3.56 10.02 -29.74 1 7 0 93 504.608 8 ↓

Analogs

36539960
36539960
36578533
36578533
36578534
36578534

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Popular Name: N-methyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]propanamide N-methyl-N-[(1S)-2-oxo-1-(9-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) 4.46 11.2 -26.16 1 6 0 84 488.609 7 ↓

Analogs

36578533
36578533
36578534
36578534
36539959
36539959

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Popular Name: N-methyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]propanamide N-methyl-N-[(1R)-2-oxo-1-(9-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) 4.46 10.94 -26.89 1 6 0 84 488.609 7 ↓

Analogs

36540270
36540270

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Popular Name: N-methyl-N-[(1S)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]pentanamide N-methyl-N-[(1S)-2-oxo-1-(9-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) 5.52 12.07 -20.84 1 6 0 84 516.663 9 ↓

Analogs

36540269
36540269

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Popular Name: N-methyl-N-[(1R)-2-oxo-1-(9-phenanthryl)-2-(p-tolylsulfonylmethylamino)ethyl]pentanamide N-methyl-N-[(1R)-2-oxo-1-(9-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) 5.52 11.66 -19.14 1 6 0 84 516.663 9 ↓

Parameters Provided:

ring.id = 95769
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 = 95769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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