UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36535134
36535134

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N,3-dimethyl-but-2-enamide N-[(1S)-2-(cyclohexylamino)-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) 6.23 13.88 -12.71 1 4 0 49 428.576 5 ↓

Analogs

36535133
36535133

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N,3-dimethyl-but-2-enamide N-[(1R)-2-(cyclohexylamino)-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) 6.23 13.14 -13.9 1 4 0 49 428.576 5 ↓

Analogs

36535444
36535444
36573880
36573880
36573881
36573881
36517000
36517000
36517001
36517001

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-butanamide N-[(1S)-2-(cyclohexylamino)-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) 5.99 13.5 -14.37 1 4 0 49 416.565 6 ↓

Analogs

36573880
36573880
36573881
36573881
36517000
36517000
36517001
36517001
36535443
36535443

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-butanamide N-[(1R)-2-(cyclohexylamino)-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) 5.99 12.69 -15.27 1 4 0 49 416.565 6 ↓

Analogs

36535754
36535754

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Popular Name: (2S)-2-[(2-chloroacetyl)-methyl-amino]-N-cyclohexyl-2-(9-phenanthryl)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) 5.16 11.79 -15.3 1 4 0 49 422.956 5 ↓

Analogs

36535753
36535753

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Popular Name: (2R)-2-[(2-chloroacetyl)-methyl-amino]-N-cyclohexyl-2-(9-phenanthryl)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) 5.16 11.7 -13.74 1 4 0 49 422.956 5 ↓

Analogs

36536323
36536323

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Popular Name: (2S)-N-cyclohexyl-2-[(2-hydroxyacetyl)-methyl-amino]-2-(9-phenanthryl)acetamide (2S)-N-cyclohexyl-2-[(2-hydroxya…

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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) 3.92 9.33 -19.54 2 5 0 70 404.51 5 ↓

Analogs

36536322
36536322

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Popular Name: (2R)-N-cyclohexyl-2-[(2-hydroxyacetyl)-methyl-amino]-2-(9-phenanthryl)acetamide (2R)-N-cyclohexyl-2-[(2-hydroxya…

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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) 3.92 9.36 -19.47 2 5 0 70 404.51 5 ↓

Analogs

36536634
36536634
36540271
36540271
36575016
36575016
36575017
36575017
36518203
36518203

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-hexanamide N-[(1S)-2-(cyclohexylamino)-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) 7.00 14.79 -10.11 1 4 0 49 444.619 8 ↓

Analogs

36540271
36540271
36575016
36575016
36575017
36575017
36518203
36518203
36518205
36518205

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-hexanamide N-[(1R)-2-(cyclohexylamino)-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) 7.00 14.4 -9.57 1 4 0 49 444.619 8 ↓

Analogs

36537831
36537831
36576401
36576401
36576402
36576402

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N,2-dimethyl-prop-2-enamide N-[(1S)-2-(cyclohexylamino)-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) 5.74 12.13 -14.51 1 4 0 49 414.549 5 ↓

Analogs

36576401
36576401
36576402
36576402
36537830
36537830

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N,2-dimethyl-prop-2-enamide N-[(1R)-2-(cyclohexylamino)-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) 5.74 11.81 -13.83 1 4 0 49 414.549 5 ↓

Analogs

36538143
36538143

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Popular Name: (2S)-N-cyclohexyl-2-[(2-methoxyacetyl)-methyl-amino]-2-(9-phenanthryl)acetamide (2S)-N-cyclohexyl-2-[(2-methoxya…

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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) 4.54 11.61 -17.63 1 5 0 59 418.537 6 ↓

Analogs

36538142
36538142

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Popular Name: (2R)-N-cyclohexyl-2-[(2-methoxyacetyl)-methyl-amino]-2-(9-phenanthryl)acetamide (2R)-N-cyclohexyl-2-[(2-methoxya…

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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) 4.54 11.64 -17.59 1 5 0 59 418.537 6 ↓

Analogs

36539962
36539962
36578235
36578235
36578236
36578236
36578535
36578535
36578536
36578536

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-propanamide N-[(1S)-2-(cyclohexylamino)-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) 5.43 13.16 -17.83 1 4 0 49 402.538 5 ↓

Analogs

36578235
36578235
36578236
36578236
36578535
36578535
36578536
36578536
36539655
36539655

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-propanamide N-[(1R)-2-(cyclohexylamino)-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) 5.43 12.95 -17.27 1 4 0 49 402.538 5 ↓

Analogs

36540272
36540272
36575016
36575016
36575017
36575017
36578843
36578843
36578844
36578844

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-pentanamide N-[(1S)-2-(cyclohexylamino)-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) 6.50 13.98 -14.21 1 4 0 49 430.592 7 ↓

Analogs

36578843
36578843
36578844
36578844
36522823
36522823
36522824
36522824
36540271
36540271

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-pentanamide N-[(1R)-2-(cyclohexylamino)-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) 6.50 13.43 -15.37 1 4 0 49 430.592 7 ↓

Parameters Provided:

ring.id = 95772
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 = 95772 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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