UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9236054
9236054
9236058
9236058

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Popular Name: 4-(hydroxy-phenyl-methylene)-5-(4-isopropylphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-(hydroxy-phenyl-methylene)-5-(…

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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 11.68 -64.04 0 5 -1 73 411.481 6 ↓
Mid Mid (pH 6-8) 4.50 1.23 -21.97 1 5 0 70 412.489 5 ↓
Lo Low (pH 4.5-6) 4.50 1.34 -46.69 2 5 1 71 413.497 5 ↓

Analogs

39847747
39847747
39847748
39847748
4312626
4312626

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Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-5-phenyl-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-5…

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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 -0.22 -16.05 1 6 0 79 400.434 6 ↓
Mid Mid (pH 6-8) 2.01 -0.32 -24.26 0 6 0 76 400.434 6 ↓
Lo Low (pH 4.5-6) 3.04 -0.48 -55.75 2 6 1 80 401.442 5 ↓

Analogs

39847747
39847747
39847748
39847748
39847749
39847749
39847750
39847750

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Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-5-phenyl-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-5…

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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 -0.56 -17.1 1 6 0 79 400.434 6 ↓
Mid Mid (pH 6-8) 2.01 -0.71 -24.6 0 6 0 76 400.434 6 ↓
Lo Low (pH 4.5-6) 3.04 -0.84 -50.93 2 6 1 80 401.442 5 ↓

Analogs

8837687
8837687
9359262
9359262
9374385
9374385
8743423
8743423

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Popular Name: 4-[hydroxy-(4-isopropoxyphenyl)-methylene]-5-(3-hydroxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-di 4-[hydroxy-(4-isopropoxyphenyl)-…

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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) 2.83 7.86 -60.01 1 7 -1 103 443.479 7 ↓
Mid Mid (pH 6-8) 3.28 7.24 -16.95 2 7 0 100 444.487 6 ↓
Mid Mid (pH 6-8) 2.25 7.24 -14.67 1 7 0 97 444.487 7 ↓

Analogs

9359262
9359262
9374385
9374385
8837686
8837686

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Popular Name: 4-[hydroxy-(4-isopropoxyphenyl)-methylene]-5-(3-hydroxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-di 4-[hydroxy-(4-isopropoxyphenyl)-…

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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) 2.83 6.93 -61.74 1 7 -1 103 443.479 7 ↓
Mid Mid (pH 6-8) 3.28 7.33 -13.46 2 7 0 100 444.487 6 ↓
Lo Low (pH 4.5-6) 3.28 7.6 -39.42 3 7 1 101 445.495 6 ↓

Analogs

5800625
5800625

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Popular Name: (4Z,5S)-5-(4-hydroxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione (4Z,5S)-5-(4-hydroxyphenyl)-4-(h…

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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) 2.06 6.87 -65.71 1 6 -1 94 385.399 5 ↓
Mid Mid (pH 6-8) 1.48 7.61 -22.25 1 6 0 88 386.407 5 ↓
Lo Low (pH 4.5-6) 1.48 7.89 -66.21 2 6 1 89 387.415 5 ↓

Analogs

6136391
6136391

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Popular Name: (4E,5R)-4-[(4-fluorophenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-pyridylmethyl)pyr (4E,5R)-4-[(4-fluorophenyl)-hydr…

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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) 2.04 6.05 -58.67 1 7 -1 103 433.415 6 ↓
Mid Mid (pH 6-8) 2.04 6.87 -14.75 2 7 0 100 434.423 6 ↓
Mid Mid (pH 6-8) 1.46 7.23 -14.59 1 7 0 97 434.423 6 ↓

Analogs

39848433
39848433
39848434
39848434
1154553
1154553

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Popular Name: (4E,5R)-5-(2,5-dimethoxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dion (4E,5R)-5-(2,5-dimethoxyphenyl)-…

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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) 2.58 7.96 -69.22 0 7 -1 92 429.452 7 ↓
Mid Mid (pH 6-8) 2.00 9.04 -13.09 0 7 0 86 430.46 7 ↓
Mid Mid (pH 6-8) 2.58 8.66 -15.52 1 7 0 89 430.46 7 ↓

Analogs

6244992
6244992

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Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-5-(3,4-dimethoxyphenyl)-3-h…

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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) 2.64 9.6 -63.75 0 7 -1 92 443.479 7 ↓
Mid Mid (pH 6-8) 3.08 8.63 -28.47 1 7 0 89 444.487 6 ↓
Mid Mid (pH 6-8) 2.05 9.67 -20.51 0 7 0 86 444.487 7 ↓

Analogs

39847793
39847793
39847794
39847794
6244992
6244992

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Popular Name: (5R)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5R)-5-(3,4-dimethoxyphenyl)-3-h…

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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) 2.64 8.78 -63.41 0 7 -1 92 443.479 7 ↓
Mid Mid (pH 6-8) 2.05 8.67 -25.38 0 7 0 86 444.487 7 ↓
Mid Mid (pH 6-8) 3.08 7.69 -27.42 1 7 0 89 444.487 6 ↓

Parameters Provided:

ring.id = 2062
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 = 2062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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