UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8064059
8064059

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

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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) 5.16 -2.03 -5.86 0 3 0 35 361.264 2 ↓

Analogs

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Popular Name: methyl 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) 5.20 10.95 -11.99 0 6 0 71 410.495 6 ↓

Analogs

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Popular Name: methyl 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) 5.20 10.86 -11.89 0 6 0 71 410.495 6 ↓

Analogs

5938003
5938003
5938004
5938004
707072
707072

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Popular Name: N-[4-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)oxy]phenyl]acetamide N-[4-[(2-methyl-5,6,7,8-tetrahyd…

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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) 3.66 -2.55 -13.89 1 5 0 64 353.447 3 ↓

Analogs

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Popular Name: 4-(4-allyl-2-methoxy-phenoxy)-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 4-(4-allyl-2-methoxy-phenoxy)-2-…

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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) 5.05 -0.28 -10.11 0 4 0 44 366.486 5 ↓

Analogs

3182330
3182330
21641601
21641601

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Popular Name: 4-(4-tert-butylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine 4-(4-tert-butylphenoxy)-2-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) 6.14 -0.3 -7.1 0 3 0 35 352.503 3 ↓

Parameters Provided:

ring.id = 1148
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 = 1148 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1148&filter.purchasability=annotated

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