UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 0.96 6.7 -39.39 2 6 1 72 293.372 4 ↓
Hi High (pH 8-9.5) 0.96 5.38 -7.5 1 6 0 67 292.364 4 ↓

Analogs

19793933
19793933
19951855
19951855

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Popular Name: isopropyl isopropyl

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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) 2.60 0.79 -43.46 1 6 1 60 335.453 4 ↓

Analogs

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Popular Name: N-(3-ethoxypropyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[4,5-e]pyrimidine-6-carboxamide N-(3-ethoxypropyl)-5-methyl-4-(4…

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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) 1.86 -2.92 -43.75 2 7 1 72 378.522 7 ↓

Analogs

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Popular Name: 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-methyl-propan-2-ol 1-[4-(6-ethylthieno[2,3-d]pyrimi…

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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) 2.39 6.19 -7.19 1 5 0 52 320.462 4 ↓
Mid Mid (pH 6-8) 2.39 7.94 -39.3 2 5 1 54 321.47 4 ↓

Analogs

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Popular Name: 4-(4-esylpiperazino)-2,5,6-trimethyl-thieno[2,3-d]pyrimidine 4-(4-esylpiperazino)-2,5,6-trime…

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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) 1.85 -5.41 -12.63 0 6 0 66 354.501 3 ↓

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) 0.97 4.41 -11.69 2 8 0 102 363.443 6 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.05 9.38 -9.56 0 6 0 59 348.472 3 ↓

Analogs

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Popular Name: 4-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine 4-[(3R)-3-ethyl-4-(2-methoxyethy…

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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) 2.27 8.27 -38.7 1 5 1 43 307.443 5 ↓
Mid Mid (pH 6-8) 2.27 6.69 -7.28 0 5 0 41 306.435 5 ↓

Analogs

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Popular Name: 4-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine 4-[(3S)-3-ethyl-4-(2-methoxyethy…

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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) 2.27 7.96 -37.6 1 5 1 43 307.443 5 ↓
Mid Mid (pH 6-8) 2.27 5.73 -6.97 0 5 0 41 306.435 5 ↓

Analogs

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Popular Name: 4-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]thieno[2,3-d]pyrimidine 4-[(3R)-4-(2-methoxyethyl)-3-met…

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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) 1.73 5.55 -7.55 0 5 0 41 292.408 4 ↓
Mid Mid (pH 6-8) 1.73 7.67 -38.28 1 5 1 43 293.416 4 ↓

Analogs

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Popular Name: 4-[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]thieno[2,3-d]pyrimidine 4-[(3S)-4-(2-methoxyethyl)-3-met…

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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) 1.73 5.16 -7.06 0 5 0 41 292.408 4 ↓
Mid Mid (pH 6-8) 1.73 7.35 -37.28 1 5 1 43 293.416 4 ↓

Analogs

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Popular Name: 3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-ol 3-(4-thieno[2,3-d]pyrimidin-4-yl…

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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) 1.05 5.15 -44.19 2 5 1 54 279.389 4 ↓
Mid Mid (pH 6-8) 1.05 2.92 -8.34 1 5 0 52 278.381 4 ↓

Analogs

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Popular Name: 4-[(3R)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic 4-[(3R)-3-(2-hydroxyethyl)-4-iso…

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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) 2.35 7.8 -68.05 2 7 0 94 378.498 6 ↓
Hi High (pH 8-9.5) 2.35 6.79 -45.07 1 7 -1 93 377.49 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) 1.28 5.71 -9.56 0 6 0 59 292.364 4 ↓
Lo Low (pH 4.5-6) 1.28 7.84 -44.82 1 6 1 60 293.372 4 ↓

Analogs

48645517
48645517
48645520
48645520
40498763
40498763

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Popular Name: N,N-diethyl-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carboxamide N,N-diethyl-4-thieno[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) 2.06 8.12 -11.68 0 6 0 53 319.434 3 ↓

Parameters Provided:

ring.id = 33638
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 = 33638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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