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

Analogs

44126933
44126933
44126938
44126938

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Popular Name: ethyl 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) 3.84 10.07 -52.48 0 5 -1 70 356.785 5 ↓
Lo Low (pH 4.5-6) 3.84 9.1 -11.62 1 5 0 67 357.793 5 ↓

Analogs

44126933
44126933
44126938
44126938

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Popular Name: ethyl 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) 3.84 10.07 -52.48 0 5 -1 70 356.785 5 ↓
Lo Low (pH 4.5-6) 3.84 9.1 -11.55 1 5 0 67 357.793 5 ↓

Analogs

13127773
13127773

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Popular Name: ethyl 1-[4-(aminosulfonyl)phenyl]-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate ethyl 1-[4-(aminosulfonyl)phenyl…

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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 4.53 -57.15 2 8 -1 130 401.42 6 ↓
Lo Low (pH 4.5-6) 1.86 3.62 -16.48 3 8 0 127 402.428 6 ↓

Analogs

13127772
13127772

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Popular Name: ethyl 1-[4-(aminosulfonyl)phenyl]-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate ethyl 1-[4-(aminosulfonyl)phenyl…

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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 4.52 -57.53 2 8 -1 130 401.42 6 ↓
Lo Low (pH 4.5-6) 1.86 3.61 -17.01 3 8 0 127 402.428 6 ↓

Analogs

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Popular Name: (2S)-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (2S)-1-(3,5-difluorophenyl)-2-(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) 3.59 9.62 -40.33 0 4 -1 60 374.338 4 ↓
Lo Low (pH 4.5-6) 3.59 8.87 -8.24 1 4 0 58 375.346 4 ↓

Analogs

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Popular Name: (2R)-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one (2R)-1-(3,5-difluorophenyl)-2-(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) 3.59 9.6 -36.94 0 4 -1 60 374.338 4 ↓
Lo Low (pH 4.5-6) 3.59 8.84 -8.02 1 4 0 58 375.346 4 ↓

Analogs

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Popular Name: (2R)-4-hydroxy-3-(2-methylpropanoyl)-1-(3-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-2H-pyr (2R)-4-hydroxy-3-(2-methylpropan…

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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) 2.94 7.93 -46.94 0 6 -1 95 466.457 6 ↓
Lo Low (pH 4.5-6) 2.94 7.16 -17.4 1 6 0 92 467.465 6 ↓

Analogs

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Popular Name: (2S)-4-hydroxy-3-(2-methylpropanoyl)-1-(3-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-2H-pyr (2S)-4-hydroxy-3-(2-methylpropan…

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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) 2.94 8.42 -63.4 0 6 -1 95 466.457 6 ↓
Lo Low (pH 4.5-6) 2.94 7.49 -20.82 1 6 0 92 467.465 6 ↓

Analogs

4171251
4171251

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Popular Name: 4-acetyl-5-(4-fluorophenyl)-1-(3-hexoxyphenyl)-3-hydroxy-5H-pyrrol-2-one 4-acetyl-5-(4-fluorophenyl)-1-(3…

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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) 5.12 11.88 -61.69 0 5 -1 70 410.465 9 ↓
Mid Mid (pH 6-8) 4.53 1.99 -28.08 0 5 0 63 411.473 9 ↓
Mid Mid (pH 6-8) 5.12 1.91 -28.52 1 5 0 66 411.473 8 ↓

Analogs

4171250
4171250

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Popular Name: 4-acetyl-5-(4-fluorophenyl)-1-(3-hexoxyphenyl)-3-hydroxy-5H-pyrrol-2-one 4-acetyl-5-(4-fluorophenyl)-1-(3…

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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) 5.12 12.07 -61.28 0 5 -1 70 410.465 9 ↓
Mid Mid (pH 6-8) 5.12 1.92 -28.49 1 5 0 66 411.473 8 ↓
Mid Mid (pH 6-8) 4.53 2 -28.08 0 5 0 63 411.473 9 ↓

Analogs

973924
973924

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Popular Name: 4-acetyl-1-(3-bromo-4-methyl-phenyl)-3-hydroxy-5-(3-methoxyphenyl)-5H-pyrrol-2-one 4-acetyl-1-(3-bromo-4-methyl-phe…

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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) 3.69 0.5 -10.57 1 5 0 66 416.271 4 ↓
Mid Mid (pH 6-8) 3.11 0.27 -18.36 0 5 0 63 416.271 4 ↓

Analogs

5062230
5062230
6720036
6720036
4870270
4870270

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Popular Name: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(4-hydroxyphenyl)-5H-pyrrol-2-one 4-acetyl-5-(4-bromophenyl)-3-hyd…

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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) 2.80 -1.83 -14.6 2 5 0 77 388.217 3 ↓
Mid Mid (pH 6-8) 2.22 -2.02 -24.86 1 5 0 74 388.217 3 ↓

Analogs

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Popular Name: 4-[(2R)-1-[3,5-bis(methoxycarbonyl)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]benz 4-[(2R)-1-[3,5-bis(methoxycarbon…

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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) 3.40 11.22 -100.32 0 10 -2 153 479.441 9 ↓
Lo Low (pH 4.5-6) 3.40 10.43 -59.8 1 10 -1 150 480.449 9 ↓

Analogs

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Popular Name: 4-[(2S)-1-[3,5-bis(methoxycarbonyl)phenyl]-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]benz 4-[(2S)-1-[3,5-bis(methoxycarbon…

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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) 3.40 11.68 -112.29 0 10 -2 153 479.441 9 ↓
Lo Low (pH 4.5-6) 3.40 10.55 -58.62 1 10 -1 150 480.449 9 ↓

Parameters Provided:

ring.id = 71414
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 = 71414 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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