UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12236113
12236113

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Popular Name: (3R)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-oxo-2-(4-phenylpiperaz…

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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) 1.50 -3.45 -11.53 0 6 0 58 356.451 3 ↓

Analogs

12236112
12236112

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Popular Name: (3S)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-oxo-2-(4-phenylpiperaz…

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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) 1.50 -3.45 -10.67 0 6 0 58 356.451 3 ↓

Analogs

12236126
12236126

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Popular Name: (3R)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-[4-(2-chlorophenyl)pip…

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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) 2.13 -3.06 -10.7 0 6 0 58 390.896 3 ↓

Analogs

12236121
12236121

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Popular Name: (3S)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-[4-(2-chlorophenyl)pip…

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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) 2.13 -3.35 -11.48 0 6 0 58 390.896 3 ↓

Analogs

12236131
12236131

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Popular Name: (3R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-[4-(2-fluorophenyl)pip…

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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) 1.62 -2.49 -11.51 0 6 0 58 374.441 3 ↓

Analogs

12236129
12236129

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Popular Name: (3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-[4-(2-fluorophenyl)pip…

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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) 1.62 -2.95 -10.99 0 6 0 58 374.441 3 ↓

Analogs

12236137
12236137

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Popular Name: (3R)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-3-[2-[4-(4-methoxyphenyl)pi…

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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) 1.56 -3.45 -12.85 0 7 0 68 386.477 4 ↓

Analogs

12236135
12236135

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Popular Name: (3S)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-3-[2-[4-(4-methoxyphenyl)pi…

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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) 1.56 -3.45 -12.06 0 7 0 68 386.477 4 ↓

Analogs

12236367
12236367

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Popular Name: (3S)-7-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3S)-7-methyl-3-[2-oxo-2-(4-phen…

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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) 1.94 -3.29 -11.13 0 6 0 58 370.478 3 ↓

Analogs

12236364
12236364

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Popular Name: (3R)-7-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydrothiazolo[2,3-b]pyrimidin-5-one (3R)-7-methyl-3-[2-oxo-2-(4-phen…

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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) 1.94 -3.32 -10.63 0 6 0 58 370.478 3 ↓

Analogs

12236372
12236372

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Popular Name: (3S)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-7-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3S)-3-[2-[4-(2-chlorophenyl)pip…

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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) 2.57 -2.92 -10.96 0 6 0 58 404.923 3 ↓

Analogs

12236370
12236370

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Popular Name: (3R)-3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-7-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3R)-3-[2-[4-(2-chlorophenyl)pip…

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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) 2.57 -3.18 -10.31 0 6 0 58 404.923 3 ↓

Analogs

12236380
12236380

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Popular Name: (3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-7-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3S)-3-[2-[4-(2-fluorophenyl)pip…

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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 -2.36 -11.89 0 6 0 58 388.468 3 ↓

Analogs

12236376
12236376

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Popular Name: (3R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-7-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3R)-3-[2-[4-(2-fluorophenyl)pip…

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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 -2.8 -12.08 0 6 0 58 388.468 3 ↓

Analogs

12236387
12236387

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Popular Name: (3R)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-7-methyl-2,3-dihydrothiazolo[2,3-b]pyrimi (3R)-3-[2-[4-(4-methoxyphenyl)pi…

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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) 2.00 -3.31 -12.01 0 7 0 68 400.504 4 ↓

Analogs

12236383
12236383

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Popular Name: (3S)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-7-methyl-2,3-dihydrothiazolo[2,3-b]pyrimi (3S)-3-[2-[4-(4-methoxyphenyl)pi…

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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) 2.00 -3.29 -12.49 0 7 0 68 400.504 4 ↓

Analogs

12236542
12236542

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Popular Name: (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3R)-3-[2-[4-(3-chlorophenyl)pip…

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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) 2.59 -3.35 -11.59 0 6 0 58 404.923 3 ↓

Analogs

12236539
12236539

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Popular Name: (3S)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3S)-3-[2-[4-(3-chlorophenyl)pip…

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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) 2.59 -3.29 -11.51 0 6 0 58 404.923 3 ↓

Analogs

12236545
12236545

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Popular Name: (3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3R)-3-[2-[4-(4-fluorophenyl)pip…

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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) 2.10 -2.45 -11.57 0 6 0 58 388.468 3 ↓

Analogs

12236543
12236543

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Popular Name: (3S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2,3-dihydrothiazolo[2,3-b]pyrimid (3S)-3-[2-[4-(4-fluorophenyl)pip…

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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) 2.10 -2.39 -12.03 0 6 0 58 388.468 3 ↓

Analogs

12236548
12236548

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Popular Name: (3R)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2,3-dihydrothiazolo[2,3-b]pyrimi (3R)-3-[2-[4-(2-methoxyphenyl)pi…

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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) 1.94 -2.86 -11.29 0 7 0 68 400.504 4 ↓

Analogs

12236547
12236547

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Popular Name: (3S)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2,3-dihydrothiazolo[2,3-b]pyrimi (3S)-3-[2-[4-(2-methoxyphenyl)pi…

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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) 1.94 -2.84 -12.19 0 7 0 68 400.504 4 ↓

Parameters Provided:

ring.id = 98758
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 = 98758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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