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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-aminoethoxy)anilino]-1-isopropyl-pyrazin-2-one 3-[3-(2-aminoethoxy)anilino]-1-i…

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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) 1.44 4.69 -49.54 4 6 1 84 289.359 6 ↓
Hi High (pH 8-9.5) 1.44 4.31 -10.79 3 6 0 82 288.351 6 ↓
Lo Low (pH 4.5-6) 1.44 4.86 -85.89 5 6 2 85 290.367 6 ↓

Analogs

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Popular Name: 3-[3-(2-aminoethoxy)anilino]-1-methyl-pyrazin-2-one 3-[3-(2-aminoethoxy)anilino]-1-m…

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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) 0.70 3.32 -50.22 4 6 1 84 261.305 5 ↓
Hi High (pH 8-9.5) 0.70 2.95 -11.57 3 6 0 82 260.297 5 ↓
Lo Low (pH 4.5-6) 0.70 3.49 -86.65 5 6 2 85 262.313 5 ↓

Analogs

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Popular Name: 3-[3-(2-aminoethoxy)anilino]-1-ethyl-pyrazin-2-one 3-[3-(2-aminoethoxy)anilino]-1-e…

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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) 1.07 4.26 -50.04 4 6 1 84 275.332 6 ↓
Hi High (pH 8-9.5) 1.07 3.89 -11.42 3 6 0 82 274.324 6 ↓
Lo Low (pH 4.5-6) 1.07 4.43 -86.55 5 6 2 85 276.34 6 ↓

Analogs

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Popular Name: 3-[3-(2-aminoethoxy)anilino]-1-propyl-pyrazin-2-one 3-[3-(2-aminoethoxy)anilino]-1-p…

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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) 1.58 5.02 -49.83 4 6 1 84 289.359 7 ↓
Hi High (pH 8-9.5) 1.58 4.64 -11.16 3 6 0 82 288.351 7 ↓
Lo Low (pH 4.5-6) 1.58 5.19 -86.89 5 6 2 85 290.367 7 ↓

Analogs

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Popular Name: 3-fluoro-4-[(4-methyl-3-oxo-pyrazin-2-yl)amino]benzoic 3-fluoro-4-[(4-methyl-3-oxo-pyra…

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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) 1.86 6.42 -53.66 1 6 -1 87 262.22 3 ↓
Lo Low (pH 4.5-6) 1.86 6.28 -54.46 2 6 0 88 263.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(4-isopropyl-3-oxo-pyrazin-2-yl)amino]benzoic 3-fluoro-4-[(4-isopropyl-3-oxo-p…

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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) 2.60 7.79 -52.77 1 6 -1 87 290.274 4 ↓
Lo Low (pH 4.5-6) 2.60 7.64 -52.46 2 6 0 88 291.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-ethyl-3-oxo-pyrazin-2-yl)amino]-3-fluoro-benzoic 4-[(4-ethyl-3-oxo-pyrazin-2-yl)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) 2.24 7.36 -53.57 1 6 -1 87 276.247 4 ↓
Lo Low (pH 4.5-6) 2.24 7.22 -53.94 2 6 0 88 277.255 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(3-oxo-4-propyl-pyrazin-2-yl)amino]benzoic 3-fluoro-4-[(3-oxo-4-propyl-pyra…

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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) 2.74 8.12 -53.31 1 6 -1 87 290.274 5 ↓
Lo Low (pH 4.5-6) 2.74 7.97 -53.93 2 6 0 88 291.282 5 ↓

Parameters Provided:

ring.id = 286765
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 = 286765 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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