UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35849308
35849308
35849310
35849310
35849450
35849450
35865519
35865519
35865522
35865522

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(7S)-2-isopropyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-2- 1-[4-[(7S)-2-isopropyl-7-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) 5.21 14.07 -15.35 0 6 0 59 464.635 5 ↓

Analogs

35849308
35849308
35849310
35849310
35849450
35849450
35865519
35865519
35865522
35865522

Draw Identity 99% 90% 80% 70%

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

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) 5.21 14.04 -15.5 0 6 0 59 464.635 5 ↓

Analogs

35888239
35888239

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(7S)-2,7-dimethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-2-phenoxy- 1-[4-[(7S)-2,7-dimethyl-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) 4.16 12.87 -15.78 0 6 0 59 436.581 4 ↓

Analogs

35888239
35888239

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(7R)-2,7-dimethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]piperazino]-2-phenoxy- 1-[4-[(7R)-2,7-dimethyl-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) 4.16 12.81 -15.8 0 6 0 59 436.581 4 ↓

Parameters Provided:

ring.id = 224743
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 = 224743 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=224743&filter.purchasability=annotated

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