UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[2-(o-tolylamino)-2-oxo-ethyl]thiazol-4-yl]methyl [2-[2-(o-tolylamino)-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) 4.55 10.37 -15.99 1 5 0 68 463.328 7 ↓

Analogs

21739325
21739325
21176534
21176534

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Popular Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl [2-[2-(4-methylanilino)-2-oxo-et…

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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 11.31 -18.81 1 7 0 87 468.575 12 ↓

Analogs

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Popular Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl [2-[2-(4-methylanilino)-2-oxo-et…

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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) 4.83 10.45 -16.91 1 6 0 78 424.522 9 ↓

Analogs

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Popular Name: [2-[2-oxo-2-(p-tolylamino)ethyl]thiazol-4-yl]methyl [2-[2-oxo-2-(p-tolylamino)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) 4.86 10.42 -18.28 1 7 0 87 474.966 10 ↓

Analogs

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Popular Name: [2-[2-oxo-2-(p-tolylamino)ethyl]thiazol-4-yl]methyl [2-[2-oxo-2-(p-tolylamino)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) 4.49 9.47 -18.37 1 7 0 87 460.939 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-oxo-2-(p-tolylamino)ethyl]thiazol-4-yl]methyl [2-[2-oxo-2-(p-tolylamino)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) 2.96 7.54 -25.12 1 7 0 102 444.534 8 ↓

Analogs

25374437
25374437

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Popular Name: [2-[2-oxo-2-(p-tolylamino)ethyl]thiazol-4-yl]methyl [2-[2-oxo-2-(p-tolylamino)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) 4.73 10.71 -22.35 1 8 0 114 490.335 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-oxo-2-(p-tolylamino)ethyl]thiazol-4-yl]methyl [2-[2-oxo-2-(p-tolylamino)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) 3.41 7.83 -30.05 1 7 0 102 458.561 9 ↓

Analogs

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Popular Name: [2-[2-(o-tolylamino)-2-oxo-ethyl]thiazol-4-yl]methyl [2-[2-(o-tolylamino)-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) 5.54 11.22 -19.19 1 5 0 68 469.777 7 ↓

Analogs

3533398
3533398

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Popular Name: [2-[2-(o-tolylamino)-2-oxo-ethyl]thiazol-4-yl]methyl [2-[2-(o-tolylamino)-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) 4.45 10.8 -18.53 1 5 0 68 394.496 7 ↓

Analogs

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Popular Name: O1-methyl O1-methyl

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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 11.08 -20.2 1 10 0 140 469.475 10 ↓

Analogs

15934654
15934654

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(o-tolylamino)-2-oxo-ethyl]thiazol-4-yl]methyl [2-[2-(o-tolylamino)-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) 4.47 10.96 -18.35 1 5 0 68 394.496 7 ↓

Analogs

30768854
30768854

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Popular Name: [2-[2-(o-tolylamino)-2-oxo-ethyl]thiazol-4-yl]methyl [2-[2-(o-tolylamino)-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) 2.62 9.13 -38.78 2 8 0 121 448.504 9 ↓

Parameters Provided:

ring.id = 45135
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 = 45135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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