UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(4-ethylanilino)-2-oxo-ethyl] [2-(4-ethylanilino)-2-oxo-ethyl]

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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) 3.06 11.3 -26.65 1 8 0 103 405.41 7 ↓

Analogs

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Popular Name: [(1S)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] [(1S)-2-(5-chloro-2-methoxy-anil…

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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) 3.17 10.44 -27.74 1 9 0 113 455.854 7 ↓

Analogs

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Popular Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] [(1R)-2-(5-chloro-2-methoxy-anil…

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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) 3.17 10.45 -25.42 1 9 0 113 455.854 7 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trichloroanilino)ethyl] [(1S)-1-methyl-2-oxo-2-(2,4,6-tr…

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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) 4.40 12.51 -25.7 1 8 0 103 494.718 6 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-(2,4,6-trichloroanilino)ethyl] [(1R)-1-methyl-2-oxo-2-(2,4,6-tr…

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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) 4.40 12.51 -23.67 1 8 0 103 494.718 6 ↓

Analogs

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Popular Name: [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxo-ethyl] [2-[3-chloro-4-(difluoromethoxy)…

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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) 3.36 9.99 -29.65 1 9 0 113 477.807 8 ↓

Analogs

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Popular Name: [(1R)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] [(1R)-2-(2-isopropyl-6-methyl-an…

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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) 2.96 13.64 -24.62 1 8 0 103 447.491 7 ↓

Analogs

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Popular Name: [(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] [(1S)-2-(2-isopropyl-6-methyl-an…

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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) 2.96 13.65 -26.81 1 8 0 103 447.491 7 ↓

Analogs

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Popular Name: [(1S)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] [(1S)-2-(4-fluoro-3-nitro-anilin…

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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) 2.56 11.26 -37.19 1 11 0 149 454.37 7 ↓

Analogs

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Popular Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] [(1R)-2-(4-fluoro-3-nitro-anilin…

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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) 2.56 11.27 -34.06 1 11 0 149 454.37 7 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] [(1R)-1-methyl-2-[2-[(1R)-1-meth…

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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) 3.84 13.27 -24.14 1 8 0 103 447.491 8 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] [(1R)-1-methyl-2-[2-[(1S)-1-meth…

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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) 3.84 13.27 -24.21 1 8 0 103 447.491 8 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] [(1S)-1-methyl-2-[2-[(1R)-1-meth…

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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) 3.84 13.29 -26.31 1 8 0 103 447.491 8 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] [(1S)-1-methyl-2-[2-[(1S)-1-meth…

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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) 3.84 13.28 -26.42 1 8 0 103 447.491 8 ↓

Parameters Provided:

ring.id = 15620
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 = 15620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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