UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 4.27 10.75 -6.94 0 3 0 29 301.459 2 ↓

Analogs

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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) 4.37 12.3 -11.23 0 5 0 55 373.522 5 ↓

Analogs

35892711
35892711
35848774
35848774
35552904
35552904
35552908
35552908
35552911
35552911

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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) 5.20 13.52 -10.97 0 5 0 55 401.576 6 ↓

Analogs

35848774
35848774
35892709
35892709
35552904
35552904
35552908
35552908
35552911
35552911

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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) 5.20 13.52 -11.05 0 5 0 55 401.576 6 ↓

Analogs

35892718
35892718
35892801
35892801
35892803
35892803
35848782
35848782
35848784
35848784

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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) 5.20 13.49 -8.64 0 5 0 55 401.576 6 ↓

Analogs

35892801
35892801
35892803
35892803
35848782
35848782
35848784
35848784
35892716
35892716

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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) 5.20 13.49 -8.74 0 5 0 55 401.576 6 ↓

Analogs

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

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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) 4.75 11.33 -6.85 0 3 0 29 315.486 2 ↓

Analogs

35892741
35892741
35892747
35892747
35892749
35892749

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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) 4.87 13.04 -8.8 0 5 0 55 387.549 6 ↓

Analogs

35892747
35892747
35892749
35892749
35892740
35892740

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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) 4.87 13.04 -8.51 0 5 0 55 387.549 6 ↓

Analogs

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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) 5.43 13.85 -10.98 0 5 0 55 401.576 7 ↓

Analogs

35892749
35892749
35892740
35892740
35892741
35892741

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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) 5.43 13.82 -8.74 0 5 0 55 401.576 7 ↓

Analogs

35892740
35892740
35892741
35892741
35892747
35892747

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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) 5.43 13.82 -8.45 0 5 0 55 401.576 7 ↓

Analogs

35892793
35892793

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Popular Name: (7R)-2-isopropyl-7-methyl-4-(1-piperidyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7R)-2-isopropyl-7-methyl-4-(1-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) 5.23 11.98 -6.48 0 3 0 29 329.513 2 ↓

Analogs

35892791
35892791

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Popular Name: (7S)-2-isopropyl-7-methyl-4-(1-piperidyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7S)-2-isopropyl-7-methyl-4-(1-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) 5.23 11.97 -6.47 0 3 0 29 329.513 2 ↓

Analogs

35892803
35892803
35892716
35892716
35892718
35892718

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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) 5.33 13.43 -8.26 0 5 0 55 401.576 5 ↓

Analogs

35892716
35892716
35892718
35892718
35892801
35892801

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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) 5.33 13.43 -8.44 0 5 0 55 401.576 5 ↓

Analogs

35892811
35892811

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Popular Name: (7R)-2-isobutyl-7-methyl-4-(1-piperidyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7R)-2-isobutyl-7-methyl-4-(1-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) 5.49 12.75 -6.09 0 3 0 29 343.54 3 ↓

Analogs

35892809
35892809

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Popular Name: (7S)-2-isobutyl-7-methyl-4-(1-piperidyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7S)-2-isobutyl-7-methyl-4-(1-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) 5.49 12.74 -6.14 0 3 0 29 343.54 3 ↓

Analogs

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Popular Name: 1-(2-methylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl)piperidine-4-carboxamide 1-(2-methylsulfanyl-5,6,7,8-tetr…

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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) 3.68 -5.06 -11.01 2 5 0 72 362.524 3 ↓

Parameters Provided:

ring.id = 40538
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 = 40538 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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