UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35892648
35892648
35892816
35892816
35892818
35892818
35892830
35892830
35892832
35892832

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7R)-7-methyl-2-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7R)-7-methyl-2-propyl-5,6,7,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.18 9.73 -6.36 0 4 0 38 331.485 3 ↓

Analogs

35892816
35892816
35892818
35892818
35892830
35892830
35892832
35892832
35892646
35892646

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7S)-7-methyl-2-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7S)-7-methyl-2-propyl-5,6,7,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.18 9.71 -6.37 0 4 0 38 331.485 3 ↓

Analogs

35892733
35892733

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-ethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)morpholine 4-(2-ethyl-5,6,7,8-tetrahydroben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.21 8.35 -6.94 0 4 0 38 303.431 2 ↓

Analogs

35892707
35892707
35892726
35892726
35848772
35848772

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.03 9.58 -6.68 0 4 0 38 331.485 3 ↓

Analogs

35892726
35892726
35848772
35848772
35892706
35892706

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.03 9.58 -6.71 0 4 0 38 331.485 3 ↓

Analogs

35892706
35892706
35892707
35892707

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-isopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)morpholine 4-(2-isopropyl-5,6,7,8-tetrahydr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.69 8.93 -6.83 0 4 0 38 317.458 2 ↓

Analogs

35892683
35892683
35552872
35552872

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)morpholine 4-(2-propyl-5,6,7,8-tetrahydrobe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.71 9.13 -6.73 0 4 0 38 317.458 3 ↓

Analogs

35892800
35892800

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7R)-2-isopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7R)-2-isopropyl-7-methyl-5,6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.16 9.56 -6.51 0 4 0 38 331.485 2 ↓

Analogs

35892798
35892798

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7S)-2-isopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7S)-2-isopropyl-7-methyl-5,6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.16 9.56 -6.46 0 4 0 38 331.485 2 ↓

Analogs

35892818
35892818
35892830
35892830
35892832
35892832
35892646
35892646
35892648
35892648

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7R)-2-isobutyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7R)-2-isobutyl-7-methyl-5,6,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.43 10.33 -6.19 0 4 0 38 345.512 3 ↓

Analogs

35892830
35892830
35892832
35892832
35892646
35892646
35892648
35892648
35892816
35892816

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7S)-2-isobutyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7S)-2-isobutyl-7-methyl-5,6,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.43 10.33 -6.22 0 4 0 38 345.512 3 ↓

Analogs

35892832
35892832
35892646
35892646
35892648
35892648
35892816
35892816
35892818
35892818

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7R)-2-butyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7R)-2-butyl-7-methyl-5,6,7,8…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.74 10.51 -6.32 0 4 0 38 345.512 4 ↓

Analogs

35892646
35892646
35892648
35892648
35892816
35892816
35892818
35892818
35892830
35892830

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7S)-2-butyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]morpholine 4-[(7S)-2-butyl-7-methyl-5,6,7,8…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.74 10.49 -6.33 0 4 0 38 345.512 4 ↓

Parameters Provided:

ring.id = 40496
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 = 40496 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=40496&filter.purchasability=annotated

Embed Link to Results