UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z,5S)-5-[(4-chlorophenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one (2Z,5S)-5-[(4-chlorophenyl)methy…

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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) 2.98 8.78 -7.85 1 4 0 54 317.801 3 ↓
Ref Reference (pH 7) 2.98 9.15 -8.84 1 4 0 54 317.801 3 ↓
Ref Reference (pH 7) 2.98 8.43 -15.3 1 4 0 54 317.801 4 ↓

Analogs

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Popular Name: (2Z,5R)-5-[(4-chlorophenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one (2Z,5R)-5-[(4-chlorophenyl)methy…

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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) 2.98 8.77 -7.84 1 4 0 54 317.801 3 ↓
Ref Reference (pH 7) 2.98 9.15 -8.86 1 4 0 54 317.801 3 ↓
Hi High (pH 8-9.5) 2.98 7.98 -39.7 0 4 -1 56 316.793 4 ↓

Analogs

5757322
5757322
5757324
5757324

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Popular Name: (2E,5S)-5-(m-tolylmethyl)-2-(2-pyridylimino)thiazolidin-4-one (2E,5S)-5-(m-tolylmethyl)-2-(2-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) 2.73 8.56 -15.34 1 4 0 54 297.383 4 ↓
Mid Mid (pH 6-8) 2.73 8.1 -42 0 4 -1 56 296.375 4 ↓
Lo Low (pH 4.5-6) 2.91 8.99 -15.73 1 4 0 58 297.383 3 ↓

Analogs

5757322
5757322
5757324
5757324

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,5R)-5-(m-tolylmethyl)-2-(2-pyridylimino)thiazolidin-4-one (2E,5R)-5-(m-tolylmethyl)-2-(2-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) 2.73 8.56 -15.35 1 4 0 54 297.383 4 ↓
Ref Reference (pH 7) 2.73 8.89 -7.73 1 4 0 54 297.383 3 ↓
Mid Mid (pH 6-8) 2.73 8.1 -42.17 0 4 -1 56 296.375 4 ↓

Analogs

6389227
6389227
6389231
6389231

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Popular Name: (2Z,5S)-5-[(4-ethoxyphenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one (2Z,5S)-5-[(4-ethoxyphenyl)methy…

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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 8.84 -9.74 1 5 0 64 327.409 5 ↓
Mid Mid (pH 6-8) 2.74 7.66 -41.94 0 5 -1 66 326.401 6 ↓
Lo Low (pH 4.5-6) 2.92 8.54 -16.55 1 5 0 67 327.409 5 ↓

Parameters Provided:

ring.id = 146483
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 = 146483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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