UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35892731
35892731

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Popular Name: 2-ethyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-ethyl-4-pyrrolidin-1-yl-5,6,7,…

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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 10.14 -7.77 0 3 0 29 287.432 2 ↓

Analogs

35892704
35892704
35892725
35892725
35892777
35892777
35892779
35892779
35892780
35892780

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Popular Name: 2-[(1R)-1-methylpropyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-[(1R)-1-methylpropyl]-4-pyrrol…

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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) 4.59 11.37 -7.56 0 3 0 29 315.486 3 ↓

Analogs

35892725
35892725
35892777
35892777
35892779
35892779
35892780
35892780
35892782
35892782

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Popular Name: 2-[(1S)-1-methylpropyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-[(1S)-1-methylpropyl]-4-pyrrol…

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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) 4.59 11.37 -7.5 0 3 0 29 315.486 3 ↓

Analogs

35892703
35892703
35892704
35892704

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Popular Name: 2-isopropyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-isopropyl-4-pyrrolidin-1-yl-5,…

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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) 4.25 10.72 -7.62 0 3 0 29 301.459 2 ↓

Analogs

35892743
35892743
35892681
35892681

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Popular Name: 2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-propyl-4-pyrrolidin-1-yl-5,6,7…

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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) 4.26 10.92 -7.53 0 3 0 29 301.459 3 ↓

Analogs

35892731
35892731

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Popular Name: 2-butyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-butyl-4-pyrrolidin-1-yl-5,6,7,…

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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) 4.82 11.7 -7.43 0 3 0 29 315.486 4 ↓

Analogs

35892779
35892779
35892780
35892780
35892782
35892782
35892795
35892795
35892796
35892796

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Popular Name: (7R)-7-methyl-2-[(1R)-1-methylpropyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrim (7R)-7-methyl-2-[(1R)-1-methylpr…

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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) 5.07 11.97 -7.07 0 3 0 29 329.513 3 ↓

Analogs

35892780
35892780
35892782
35892782
35892795
35892795
35892796
35892796
35892703
35892703

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-methyl-2-[(1S)-1-methylpropyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrim (7R)-7-methyl-2-[(1S)-1-methylpr…

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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) 5.07 11.97 -7.06 0 3 0 29 329.513 3 ↓

Analogs

35892782
35892782
35892795
35892795
35892796
35892796
35892703
35892703
35892704
35892704

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Popular Name: (7S)-7-methyl-2-[(1R)-1-methylpropyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrim (7S)-7-methyl-2-[(1R)-1-methylpr…

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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) 5.07 11.84 -7.19 0 3 0 29 329.513 3 ↓

Analogs

35892795
35892795
35892796
35892796
35892703
35892703
35892704
35892704
35892777
35892777

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Popular Name: (7S)-7-methyl-2-[(1S)-1-methylpropyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrim (7S)-7-methyl-2-[(1S)-1-methylpr…

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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) 5.07 11.85 -7.2 0 3 0 29 329.513 3 ↓

Analogs

35892796
35892796
35892777
35892777
35892779
35892779
35892780
35892780
35892782
35892782

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-isopropyl-7-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7R)-2-isopropyl-7-methyl-4-pyrr…

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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) 4.72 11.37 -7.25 0 3 0 29 315.486 2 ↓

Analogs

35892777
35892777
35892779
35892779
35892780
35892780
35892782
35892782
35892795
35892795

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-isopropyl-7-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7S)-2-isopropyl-7-methyl-4-pyrr…

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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) 4.72 11.24 -7.33 0 3 0 29 315.486 2 ↓

Analogs

35892815
35892815
35892827
35892827
35892829
35892829
35552762
35552762
35552766
35552766

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Popular Name: (7R)-2-isobutyl-7-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7R)-2-isobutyl-7-methyl-4-pyrro…

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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) 4.98 12.14 -6.85 0 3 0 29 329.513 3 ↓

Analogs

35892827
35892827
35892829
35892829
35892813
35892813
35552762
35552762
35552766
35552766

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-isobutyl-7-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7S)-2-isobutyl-7-methyl-4-pyrro…

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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) 4.98 12.01 -6.99 0 3 0 29 329.513 3 ↓

Analogs

35892829
35892829
35892813
35892813
35892815
35892815
35552762
35552762
35552766
35552766

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-butyl-7-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7R)-2-butyl-7-methyl-4-pyrrolid…

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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) 5.30 12.3 -7.08 0 3 0 29 329.513 4 ↓

Analogs

35892813
35892813
35892815
35892815
35892827
35892827
35552762
35552762
35552766
35552766

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-butyl-7-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7S)-2-butyl-7-methyl-4-pyrrolid…

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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) 5.30 12.18 -7.13 0 3 0 29 329.513 4 ↓

Parameters Provided:

ring.id = 40540
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 = 40540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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