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) 2.33 7.27 -11.5 1 7 0 82 317.374 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.61 8.27 -11.28 1 7 0 82 317.374 5 ↓

Analogs

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Popular Name: (2R)-1-(dimethylamino)-3-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]propan-2-ol (2R)-1-(dimethylamino)-3-[4-[(5,…

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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) 1.77 7.09 -49.26 3 7 1 80 347.468 6 ↓
Hi High (pH 8-9.5) 1.77 4.54 -15.87 2 7 0 79 346.46 6 ↓

Analogs

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Popular Name: (2S)-1-(dimethylamino)-3-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]propan-2-ol (2S)-1-(dimethylamino)-3-[4-[(5,…

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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) 1.77 7.3 -49.41 3 7 1 80 347.468 6 ↓
Hi High (pH 8-9.5) 1.77 4.74 -15.34 2 7 0 79 346.46 6 ↓

Analogs

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Popular Name: 6-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine 6-ethyl-N-[1-(2-methoxyethyl)pyr…

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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) 2.57 7.31 -11.24 1 6 0 65 303.391 6 ↓

Analogs

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Popular Name: 2-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]-N-methyl-acetamide 2-[4-[(6-ethylthieno[2,3-d]pyrim…

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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) 1.69 6 -21.72 2 7 0 85 316.39 5 ↓

Analogs

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Popular Name: 2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)pyrazol-1-yl]ethanol 2-[4-(thieno[2,3-d]pyrimidin-4-y…

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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) 1.16 3.32 -12.35 2 6 0 76 261.31 4 ↓

Analogs

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Popular Name: 2-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]ethanol 2-[4-[(6-ethylthieno[2,3-d]pyrim…

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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) 1.95 4.9 -11.75 2 6 0 76 289.364 5 ↓

Parameters Provided:

ring.id = 244099
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 = 244099 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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