UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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) 3.47 9.64 -35.39 2 6 1 72 351.496 7 ↓
Hi High (pH 8-9.5) 3.47 8.75 -11.42 1 6 0 70 350.488 7 ↓
Mid Mid (pH 6-8) 3.30 8.3 -33.91 2 6 1 68 351.496 6 ↓

Analogs

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Popular Name: 5-(5-bromo-2-thienyl)-N-butyl-3-methyl-6H-1,3,4-thiadiazin-2-imine 5-(5-bromo-2-thienyl)-N-butyl-3-…

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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) 4.42 8.18 -27.17 1 3 1 30 347.327 4 ↓
Hi High (pH 8-9.5) 4.42 7.64 -4.01 0 3 0 28 346.319 4 ↓
Hi High (pH 8-9.5) 4.42 7.2 -4.54 0 3 0 28 346.319 4 ↓

Analogs

12596055
12596055
12635769
12635769
12527819
12527819

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-5-[(2R)-2-methyl-1-methylsulfonyl-indolin-5-yl]-6H-1,3,4-thiadiazin-2-am N-(2-ethyl-6-methyl-phenyl)-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) 4.64 9.94 -14.18 1 6 0 74 442.61 4 ↓

Analogs

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Popular Name: 3-[3-[2-[(2-fluorophenyl)amino]-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile 3-[3-[2-[(2-fluorophenyl)amino]-…

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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) 3.39 11.77 -22.9 1 5 0 65 377.448 4 ↓

Analogs

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Popular Name: 3-[3-[2-[(2-methoxyphenyl)amino]-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile 3-[3-[2-[(2-methoxyphenyl)amino]…

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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) 3.28 11.06 -23.04 1 6 0 75 389.484 5 ↓

Analogs

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Popular Name: 6-[2-[(2,4-dimethylphenyl)amino]-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 6-[2-[(2,4-dimethylphenyl)amino]…

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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) 4.09 9.21 -13.48 2 5 0 66 364.474 2 ↓
Lo Low (pH 4.5-6) 4.09 9.63 -33.9 3 5 1 67 365.482 3 ↓

Analogs

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Popular Name: N-[3-[[5-(2,5-dimethyl-1H-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]amino]phenyl]acetamide N-[3-[[5-(2,5-dimethyl-1H-pyrrol…

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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) 2.08 6.48 -22.13 3 6 0 82 341.44 3 ↓

Analogs

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Popular Name: N-[3-[[5-(3-methylbenzothiophen-2-yl)-6H-1,3,4-thiadiazin-2-yl]amino]phenyl]acetamide N-[3-[[5-(3-methylbenzothiophen-…

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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) 4.38 9.7 -19.29 2 5 0 66 394.525 3 ↓

Analogs

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Popular Name: N-[3-[[5-(1-adamantyl)-6H-1,3,4-thiadiazin-2-yl]amino]phenyl]acetamide N-[3-[[5-(1-adamantyl)-6H-1,3,4-…

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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) 4.14 9.22 -18.99 2 5 0 66 382.533 3 ↓

Analogs

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Popular Name: N-[3-[(5-indan-5-yl-6H-1,3,4-thiadiazin-2-yl)amino]phenyl]acetamide N-[3-[(5-indan-5-yl-6H-1,3,4-thi…

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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) 3.21 9.31 -19.94 2 5 0 66 364.474 3 ↓

Analogs

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Popular Name: N-[3-[[5-(4-ethylphenyl)-6H-1,3,4-thiadiazin-2-yl]amino]phenyl]acetamide N-[3-[[5-(4-ethylphenyl)-6H-1,3,…

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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) 3.71 8.82 -19.54 2 5 0 66 352.463 4 ↓

Analogs

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Popular Name: 6-[2-(3-chloroanilino)-6H-1,3,4-thiadiazin-5-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one 6-[2-(3-chloroanilino)-6H-1,3,4-…

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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) 4.01 8.32 -15.43 2 5 0 66 388.855 2 ↓
Lo Low (pH 4.5-6) 4.01 8.51 -38.82 3 5 1 67 389.863 3 ↓

Analogs

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Popular Name: N-[4-[2-(2,6-dimethylanilino)-6H-1,3,4-thiadiazin-5-yl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-(2,6-dimethylanilino)-6H…

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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) 3.98 9.74 -11.22 2 5 0 66 398.557 4 ↓
Mid Mid (pH 6-8) 3.04 10.42 -30.59 3 5 1 67 399.565 5 ↓

Analogs

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Popular Name: N-[4-[2-(2,3-dimethylanilino)-6H-1,3,4-thiadiazin-5-yl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-(2,3-dimethylanilino)-6H…

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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) 3.98 9.92 -11.03 2 5 0 66 398.557 4 ↓
Mid Mid (pH 6-8) 3.98 10.14 -31.3 3 5 1 67 399.565 5 ↓

Analogs

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Popular Name: 7-fluoro-6-[2-(2-fluoroanilino)-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[2-(2-fluoroanilino)-…

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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) 3.47 7.9 -17.6 2 5 0 66 372.4 2 ↓
Lo Low (pH 4.5-6) 3.47 7.99 -37.67 3 5 1 67 373.408 3 ↓

Analogs

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Popular Name: N-[4-[2-(2-methylanilino)-6H-1,3,4-thiadiazin-5-yl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-(2-methylanilino)-6H-1,3…

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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) 3.58 9.37 -10.97 2 5 0 66 384.53 4 ↓
Mid Mid (pH 6-8) 3.58 9.64 -32.08 3 5 1 67 385.538 5 ↓

Analogs

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Popular Name: 7-fluoro-6-[2-(4-methylanilino)-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[2-(4-methylanilino)-…

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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) 3.80 8.48 -15.54 2 5 0 66 368.437 2 ↓
Mid Mid (pH 6-8) 3.80 8.67 -36.46 3 5 1 67 369.445 3 ↓

Analogs

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Popular Name: N-[4-[2-(4-methylanilino)-6H-1,3,4-thiadiazin-5-yl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-(4-methylanilino)-6H-1,3…

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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) 3.63 9.22 -11.19 2 5 0 66 384.53 4 ↓
Mid Mid (pH 6-8) 3.63 9.42 -31.64 3 5 1 67 385.538 5 ↓

Analogs

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Popular Name: N-[4-(2-anilino-6H-1,3,4-thiadiazin-5-yl)-2-methylsulfanyl-phenyl]acetamide N-[4-(2-anilino-6H-1,3,4-thiadia…

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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) 3.18 8.53 -11.33 2 5 0 66 370.503 4 ↓
Mid Mid (pH 6-8) 3.18 8.66 -31.39 3 5 1 67 371.511 5 ↓

Analogs

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Popular Name: 7-fluoro-6-[2-(3-methoxyanilino)-6H-1,3,4-thiadiazin-5-yl]-3,4-dihydro-1H-quinolin-2-one 7-fluoro-6-[2-(3-methoxyanilino)…

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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) 3.39 7.1 -17.58 2 6 0 75 384.436 3 ↓
Lo Low (pH 4.5-6) 3.39 7.29 -37.47 3 6 1 77 385.444 4 ↓

Analogs

5861431
5861431

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Popular Name: 5-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-N-(o-tolyl)-6H-1,3,4-thiadiazin-2-amine 5-[1-(2-methoxyethyl)-2,5-dimeth…

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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 10.08 -7.74 1 5 0 51 356.495 5 ↓

Analogs

5861431
5861431

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Popular Name: 5-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-N-(3-methoxyphenyl)-6H-1,3,4-thiadiazin-2-amine 5-[1-(2-methoxyethyl)-2,5-dimeth…

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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) 2.97 8.52 -9.44 1 6 0 60 372.494 6 ↓

Parameters Provided:

ring.id = 3277
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 3277 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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