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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 5.39 14.4 -12.55 1 6 0 73 411.527 6 ↓

Analogs

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Popular Name: 4-[(4-oxo-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide 4-[(4-oxo-3-propyl-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) 3.87 8.28 -18.48 3 7 0 107 418.544 5 ↓

Analogs

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Popular Name: 2-[3-(methoxymethyl)anilino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[3-(methoxymethyl)anilino]-3-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) 5.11 13.06 -11.3 1 5 0 56 383.517 6 ↓

Analogs

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Popular Name: 2-[3-(methylsulfanylmethyl)anilino]-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-[3-(methylsulfanylmethyl)anili…

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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) 5.65 15.22 -11.08 1 4 0 47 399.585 6 ↓

Analogs

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Popular Name: 3-[(4-oxo-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)amino]benzamide 3-[(4-oxo-3-propyl-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) 3.97 10.11 -15.56 3 6 0 90 382.489 5 ↓

Analogs

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Popular Name: N-methyl-3-[(4-oxo-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)amino]benzamide N-methyl-3-[(4-oxo-3-propyl-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) 4.35 11.61 -15.54 2 6 0 76 396.516 5 ↓

Analogs

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Popular Name: 4-[(4-oxo-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)amino]benzamide 4-[(4-oxo-3-propyl-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) 4.00 10.11 -18.88 3 6 0 90 382.489 5 ↓

Analogs

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Popular Name: N-methyl-4-[(4-oxo-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)amino]benzamide N-methyl-4-[(4-oxo-3-propyl-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) 4.37 11.6 -18.98 2 6 0 76 396.516 5 ↓

Analogs

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Popular Name: N-[4-[(4-oxo-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)amino]phenyl]acetamide N-[4-[(4-oxo-3-propyl-5,6,7,8-te…

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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) 4.40 12.33 -15.81 2 6 0 76 396.516 5 ↓

Parameters Provided:

ring.id = 539160
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 = 539160 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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