UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36154524
36154524
36154551
36154551

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Popular Name: ethyl 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) 2.63 6.95 -13.13 2 6 0 84 357.435 7 ↓
Hi High (pH 8-9.5) 3.09 4.56 -40.92 1 6 -1 87 356.427 7 ↓
Mid Mid (pH 6-8) 2.63 8.33 -66.5 3 6 1 89 358.443 7 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 2.05 6.17 -14.62 2 7 0 93 387.461 9 ↓
Mid Mid (pH 6-8) 2.05 7.56 -67.55 3 7 1 98 388.469 9 ↓

Analogs

36154478
36154478

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Popular Name: allyl allyl

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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) 2.90 7.52 -12.92 2 6 0 84 369.446 8 ↓
Mid Mid (pH 6-8) 2.90 8.91 -66.27 3 6 1 89 370.454 8 ↓

Analogs

36154478
36154478

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Popular Name: isopropyl isopropyl

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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) 2.99 7.67 -13.24 2 6 0 84 371.462 7 ↓
Mid Mid (pH 6-8) 2.99 9.05 -66.5 3 6 1 89 372.47 7 ↓

Analogs

23804820
23804820
35741521
35741521

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Popular Name: methyl 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) 3.17 8.64 -12.96 1 6 0 75 385.489 7 ↓
Mid Mid (pH 6-8) 3.17 10.1 -56.2 2 6 1 76 386.497 7 ↓

Analogs

14233863
14233863
14233867
14233867
14233870
14233870

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Popular Name: 2-[(1R)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimidin-4-o 2-[(1R)-1-[[(1S)-1-(2,5-dimethyl…

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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) 4.35 9.8 -46.78 3 4 1 62 356.515 4 ↓

Analogs

14233867
14233867
14233870
14233870
14233860
14233860

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Popular Name: 2-[(1S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimidin-4-o 2-[(1S)-1-[[(1S)-1-(2,5-dimethyl…

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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) 4.35 9.88 -48.43 3 4 1 62 356.515 4 ↓

Analogs

14233870
14233870
14233860
14233860
14233863
14233863

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Popular Name: 2-[(1R)-1-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimidin-4-o 2-[(1R)-1-[[(1R)-1-(2,5-dimethyl…

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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) 4.35 9.86 -48.32 3 4 1 62 356.515 4 ↓

Analogs

14233860
14233860
14233863
14233863
14233867
14233867

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Popular Name: 2-[(1S)-1-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimidin-4-o 2-[(1S)-1-[[(1R)-1-(2,5-dimethyl…

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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) 4.35 9.88 -50.04 3 4 1 62 356.515 4 ↓

Analogs

16585889
16585889
31935649
31935649

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Popular Name: 5,6-dimethyl-2-[(1R)-1-(methyl-(o-tolylmethyl)amino)ethyl]-3H-thieno[3,2-e]pyrimidin-4-one 5,6-dimethyl-2-[(1R)-1-(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) 3.61 10.6 -47.75 2 4 1 50 342.488 4 ↓
Mid Mid (pH 6-8) 3.61 8.27 -10.77 1 4 0 49 341.48 4 ↓

Analogs

31935649
31935649
16585888
16585888

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Popular Name: 5,6-dimethyl-2-[(1S)-1-(methyl-(o-tolylmethyl)amino)ethyl]-3H-thieno[3,2-e]pyrimidin-4-one 5,6-dimethyl-2-[(1S)-1-(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) 3.61 10.61 -47.45 2 4 1 50 342.488 4 ↓
Mid Mid (pH 6-8) 3.61 8.81 -9.94 1 4 0 49 341.48 4 ↓

Analogs

16587355
16587355

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Popular Name: 2-[(1R)-1-[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimi 2-[(1R)-1-[[4-(difluoromethoxy)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) 3.82 7.09 -14.57 1 5 0 58 393.459 6 ↓
Mid Mid (pH 6-8) 3.82 9.53 -52.15 2 5 1 59 394.467 6 ↓

Analogs

16587354
16587354

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Popular Name: 2-[(1S)-1-[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimi 2-[(1S)-1-[[4-(difluoromethoxy)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) 3.82 7.09 -14.6 1 5 0 58 393.459 6 ↓
Mid Mid (pH 6-8) 3.82 9.23 -53.93 2 5 1 59 394.467 6 ↓

Analogs

16632335
16632335
16632394
16632394
23777790
23777790
31004933
31004933

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Popular Name: methyl 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) 3.76 8.11 -15.08 1 6 0 75 426.325 6 ↓
Mid Mid (pH 6-8) 4.22 9.65 -45.11 1 6 0 80 426.325 6 ↓
Mid Mid (pH 6-8) 3.76 10.44 -61.98 2 6 1 76 427.333 6 ↓

Analogs

16590944
16590944

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Popular Name: 2-[(1S)-1-[(2,4-dimethoxyphenyl)methyl-methyl-amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimidin-4- 2-[(1S)-1-[(2,4-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) 3.25 8.7 -47.76 2 6 1 69 388.513 6 ↓

Analogs

16590943
16590943

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Popular Name: 2-[(1R)-1-[(2,4-dimethoxyphenyl)methyl-methyl-amino]ethyl]-5,6-dimethyl-3H-thieno[3,2-e]pyrimidin-4- 2-[(1R)-1-[(2,4-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) 3.25 8.55 -47.02 2 6 1 69 388.513 6 ↓

Parameters Provided:

ring.id = 74799
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 = 74799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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