UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36534824
36534824
36588822
36588822
36588823
36588823

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide 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) 5.79 14.42 -11.9 1 4 0 49 450.582 5 ↓

Analogs

36588822
36588822
36588823
36588823
36534823
36534823

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide 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) 5.79 13.92 -10.75 1 4 0 49 450.582 5 ↓

Analogs

36537533
36537533

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-3-nitro-benzamide 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) 5.73 15.12 -16.08 1 7 0 95 495.579 6 ↓

Analogs

36537532
36537532

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-3-nitro-benzamide 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) 5.73 14.63 -13.97 1 7 0 95 495.579 6 ↓

Analogs

36538767
36538767
36592824
36592824
36592825
36592825

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Popular Name: 2-chloro-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide 2-chloro-N-[(1S)-2-(cyclohexylam…

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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) 6.42 14.98 -13.29 1 4 0 49 485.027 5 ↓

Analogs

36592824
36592824
36592825
36592825
36538766
36538766

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Popular Name: 2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-benzamide 2-chloro-N-[(1R)-2-(cyclohexylam…

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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) 6.42 14.42 -11.13 1 4 0 49 485.027 5 ↓

Analogs

36539070
36539070
36593165
36593165
36593166
36593166

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-4-fluoro-N-methyl-benzamide 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) 5.96 14.49 -10.41 1 4 0 49 468.572 5 ↓

Analogs

36593165
36593165
36593166
36593166
36539069
36539069

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Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-4-fluoro-N-methyl-benzamide 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) 5.96 13.98 -9.36 1 4 0 49 468.572 5 ↓

Analogs

36539368
36539368

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Popular Name: N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-4-nitro-benzamide 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) 5.75 15.13 -11.61 1 7 0 95 495.579 6 ↓

Analogs

36539367
36539367

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-methyl-4-nitro-benzamide 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) 5.75 14.64 -10.67 1 7 0 95 495.579 6 ↓

Parameters Provided:

ring.id = 95623
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 = 95623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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