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

Analogs

12033088
12033088

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.22 -6.26 -23.8 5 9 0 139 421.454 7 ↓

Analogs

12033087
12033087

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.22 -6.24 -23.91 5 9 0 139 421.454 7 ↓

Analogs

12033132
12033132

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.17 -6.34 -29.5 5 9 0 139 421.454 7 ↓

Analogs

12033131
12033131

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.17 -6.29 -29.26 5 9 0 139 421.454 7 ↓

Analogs

12033244
12033244

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.12 2.46 -24.41 5 10 0 148 433.49 8 ↓
Hi High (pH 8-9.5) 1.57 -0.28 -57.17 4 10 -1 152 432.482 8 ↓
Mid Mid (pH 6-8) 1.76 -0.96 -63.5 4 10 -1 155 432.482 8 ↓

Analogs

12033243
12033243

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.12 2.5 -24.51 5 10 0 148 433.49 8 ↓
Hi High (pH 8-9.5) 1.57 -0.24 -56.92 4 10 -1 152 432.482 8 ↓
Mid Mid (pH 6-8) 1.76 -0.94 -63.4 4 10 -1 155 432.482 8 ↓

Analogs

12033353
12033353

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.74 -7.14 -23.52 5 9 0 139 437.909 7 ↓

Analogs

12033352
12033352

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.74 -7.13 -23.57 5 9 0 139 437.909 7 ↓

Analogs

12033414
12033414

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.49 -6.94 -25.57 5 10 0 148 447.517 9 ↓

Analogs

12033413
12033413

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.49 -6.93 -25.58 5 10 0 148 447.517 9 ↓

Analogs

12033487
12033487
12033450
12033450
12033453
12033453

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.31 3.28 -21.56 5 9 0 139 439.444 7 ↓

Analogs

12033450
12033450
12033453
12033453
12033486
12033486

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.31 3.32 -21.63 5 9 0 139 439.444 7 ↓

Analogs

12033599
12033599

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.37 4.24 -28.58 5 12 0 185 462.488 8 ↓

Analogs

12033598
12033598

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Popular Name: N-[4-amino-6-oxo-2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-1H-pyrimidin-5-yl N-[4-amino-6-oxo-2-[2-oxo-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) 1.37 4.28 -28.72 5 12 0 185 462.488 8 ↓

Parameters Provided:

ring.id = 81859
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 = 81859 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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