UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35849225
35849225
35849227
35849227

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Popular Name: 2-chloro-1-[4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]ethano 2-chloro-1-[4-(2-cyclopropyl-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) 2.97 -2.74 -13.47 0 5 0 49 390.94 3 ↓

Analogs

4217888
4217888
4217889
4217889
35849268
35849268
35849270
35849270
57826271
57826271

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Popular Name: 1-[4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]ethanone 1-[4-(2-cyclopropyl-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) 2.40 -2.36 -12.26 0 5 0 49 356.495 2 ↓

Analogs

5855529
5855529
5855538
5855538
35848824
35848824
35848830
35848830

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Popular Name: 1-[4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]propan-1-one 1-[4-(2-cyclopropyl-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) 3.24 -2.31 -11.91 0 5 0 49 370.522 3 ↓

Analogs

5875015
5875015
35867813
35867813
35867814
35867814

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Popular Name: 2-cyclopropyl-4-(4-mesylpiperazino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-cyclopropyl-4-(4-mesylpiperazi…

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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) 2.42 -6.33 -12.56 0 6 0 66 392.55 3 ↓

Analogs

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Popular Name: 1-[4-[(7S)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]e 1-[4-[(7S)-2-cyclopropyl-7-methy…

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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) 2.88 -2.05 -11.8 0 5 0 49 370.522 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(7R)-2-cyclopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]e 1-[4-[(7R)-2-cyclopropyl-7-methy…

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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) 2.88 -2.06 -11.82 0 5 0 49 370.522 2 ↓

Analogs

4218018
4218018
35867887
35867887
35867888
35867888
35867889
35867889
35867890
35867890

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Popular Name: (7S)-2-cyclopropyl-4-(4-mesylpiperazino)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7S)-2-cyclopropyl-4-(4-mesylpip…

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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) 2.89 -5.98 -12.19 0 6 0 66 406.577 3 ↓

Analogs

4218018
4218018
35867887
35867887
35867888
35867888
35867889
35867889
35867890
35867890

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-cyclopropyl-4-(4-mesylpiperazino)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine (7R)-2-cyclopropyl-4-(4-mesylpip…

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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) 2.89 -5.98 -12.27 0 6 0 66 406.577 3 ↓

Parameters Provided:

ring.id = 224714
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 = 224714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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