UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(p-tolylmethyl)acetamide 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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 10.96 -59.5 2 8 1 85 427.554 6 ↓
Mid Mid (pH 6-8) 1.73 8.75 -22.51 1 8 0 83 426.546 6 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-benzyl-N-ethyl-2-[2-(4-ethylpi…

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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) 1.90 13.26 -59.52 1 8 1 76 441.581 7 ↓
Mid Mid (pH 6-8) 1.90 11.05 -22.88 0 8 0 75 440.573 7 ↓

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]acetamid 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 1.44 10.35 -60.69 2 8 1 85 431.517 6 ↓
Mid Mid (pH 6-8) 1.44 8.12 -23.29 1 8 0 83 430.509 6 ↓

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]acetami 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 1.33 9.59 -60.86 2 9 1 94 443.553 7 ↓
Mid Mid (pH 6-8) 1.33 7.35 -23.67 1 9 0 93 442.545 7 ↓

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-[(2-bromophenyl)methyl]-2-[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) 2.04 10.78 -60.13 2 8 1 85 492.423 6 ↓
Mid Mid (pH 6-8) 2.04 8.57 -23.47 1 8 0 83 491.415 6 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]ace N-[(3,4-dimethoxyphenyl)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) 0.92 9.48 -63.61 2 10 1 103 473.579 8 ↓
Mid Mid (pH 6-8) 0.92 7.25 -26.16 1 10 0 102 472.571 8 ↓

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acet N-[(2,4-difluorophenyl)methyl]-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) 1.53 10.37 -61.71 2 8 1 85 449.507 6 ↓
Mid Mid (pH 6-8) 1.53 8.14 -24.55 1 8 0 83 448.499 6 ↓

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]a 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 1.89 10.44 -61.7 2 9 1 94 457.58 7 ↓
Mid Mid (pH 6-8) 1.89 8.2 -24.65 1 9 0 93 456.572 7 ↓

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]a 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 1.89 10.43 -60.98 2 9 1 94 457.58 7 ↓
Mid Mid (pH 6-8) 1.89 8.19 -23.81 1 9 0 93 456.572 7 ↓

Parameters Provided:

ring.id = 503690
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = trackref
iosrcn = bgt
iocnl3 = legacy
iid = 191540506

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 = 503690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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