UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36536938
36536938
36591117
36591117
36591118
36591118

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Popular Name: N-[2-[[(1R)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R)-2-(tert-butylamino)-…

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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) 4.65 11.53 -12.3 2 6 0 79 481.596 7 ↓

Analogs

36591117
36591117
36591118
36591118
36536937
36536937

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Popular Name: N-[2-[[(1S)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S)-2-(tert-butylamino)-…

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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) 4.65 11.89 -12.68 2 6 0 79 481.596 7 ↓

Analogs

36536942
36536942

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Popular Name: N-[2-[methyl-[(1R)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]amino]-2-oxo-ethyl N-[2-[methyl-[(1R)-2-oxo-1-(9-ph…

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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) 6.25 14.46 -11.38 2 6 0 79 537.704 9 ↓

Analogs

36536941
36536941

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1S)-2-oxo-1-(9-phenanthryl)-2-(1,1,3,3-tetramethylbutylamino)ethyl]amino]-2-oxo-ethyl N-[2-[methyl-[(1S)-2-oxo-1-(9-ph…

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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) 6.25 15.1 -12.05 2 6 0 79 537.704 9 ↓

Analogs

36536944
36536944

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R)-2-(butylamino)-2-oxo…

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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) 4.90 11.77 -12.68 2 6 0 79 481.596 9 ↓

Analogs

36536943
36536943

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S)-2-(butylamino)-2-oxo…

Find On: PubMed — Wikipedia — Google

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) 4.90 12.13 -12.83 2 6 0 79 481.596 9 ↓

Parameters Provided:

ring.id = 96304
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 = 96304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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