UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21580026
21580026

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Popular Name: 2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-N-[2-[(3,4-difluorophenyl)amino]-2-oxo-ethy 2-[[2-[(2-chlorophenyl)amino]-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) 3.18 6.3 -55.81 4 7 1 92 425.843 8 ↓
Hi High (pH 8-9.5) 3.18 4.05 -22.9 3 7 0 91 424.835 8 ↓

Analogs

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Popular Name: 2-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-methyl-amino]-N-[2-[(3,4-difluorophen 2-[[2-[[4-chloro-3-(trifluoromet…

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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) 4.05 7.09 -64.24 4 7 1 92 493.84 9 ↓
Hi High (pH 8-9.5) 4.05 4.83 -25.62 3 7 0 91 492.832 9 ↓

Analogs

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Popular Name: 2-[[2-[[2-[(3,4-difluorophenyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-methyl-amino]-N-(2,3-dimethylp 2-[[2-[[2-[(3,4-difluorophenyl)a…

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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) 3.35 7.22 -59.45 4 7 1 92 419.452 8 ↓
Hi High (pH 8-9.5) 3.35 4.97 -26.3 3 7 0 91 418.444 8 ↓

Analogs

9491462
9491462
8066055
8066055
7458755
7458755

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Popular Name: 2-[ethyl-[2-[(3-methoxyphenyl)amino]-2-oxo-ethyl]amino]-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]eth 2-[ethyl-[2-[(3-methoxyphenyl)am…

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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) 3.05 5.84 -52.47 4 8 1 101 453.441 10 ↓

Analogs

16634736
16634736
15413965
15413965

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Popular Name: 2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]amino]-N-[2-oxo-2-[(2,4,6-trimethylphenyl) 2-[ethyl-[2-oxo-2-[[2-(trifluoro…

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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) 3.78 9.86 -44.91 4 7 1 92 479.523 10 ↓

Analogs

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Popular Name: N-[2-[(4-bromo-2-methyl-phenyl)amino]-2-oxo-ethyl]-2-[[2-(o-tolylamino)-2-oxo-ethyl]-propyl-amino]ac N-[2-[(4-bromo-2-methyl-phenyl)a…

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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) 4.76 9.38 -48.49 4 7 1 92 490.422 10 ↓

Parameters Provided:

ring.id = 135096
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 = 135096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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