UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12039540
12039540

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Popular Name: N-benzyl-4-[[(1S)-1-(methoxymethyl)propyl]amino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-benzyl-4-[[(1S)-1-(methoxymeth…

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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) 3.34 -2.67 -7.87 2 6 0 76 384.505 8 ↓

Analogs

12039535
12039535

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Popular Name: N-benzyl-4-[[(1R)-1-(methoxymethyl)propyl]amino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-benzyl-4-[[(1R)-1-(methoxymeth…

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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) 3.34 -2.67 -7.8 2 6 0 76 384.505 8 ↓

Analogs

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Popular Name: 4-ethylamino-N-[(4-fluorophenyl)methyl]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-ethylamino-N-[(4-fluorophenyl)…

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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) 3.03 -2.49 -8.56 2 5 0 67 344.415 5 ↓

Analogs

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Popular Name: 2-ethyl-N,4,5-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]thieno[4,5-e]pyrimidine-6-carboxamide 2-ethyl-N,4,5-trimethyl-N-[[4-(t…

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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) 4.53 10.4 -11.27 0 4 0 46 407.461 5 ↓

Analogs

26327205
26327205
39549306
39549306

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Popular Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-2-ethyl-N,4,5-trimethyl-thieno[4,5-e]pyrimidine-6-c N-[[4-(difluoromethoxy)-3-methox…

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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) 3.84 8.82 -14.36 0 6 0 65 435.496 7 ↓

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) 2.86 8.08 -11.94 1 6 0 81 369.446 5 ↓

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) 2.86 8.09 -11.98 1 6 0 81 369.446 5 ↓

Parameters Provided:

ring.id = 35881
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 = 35881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=35881&filter.purchasability=annotated

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