UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-[2-[2-ethoxy-4-[(E)-(5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy] N-[4-[2-[2-ethoxy-4-[(E)-(5-imin…

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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) 1.24 6.7 -26.89 2 10 0 128 493.545 9 ↓

Analogs

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Popular Name: N-[4-[2-[2-ethoxy-4-[(E)-(5-imino-2-methyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl N-[4-[2-[2-ethoxy-4-[(E)-(5-imin…

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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 7.42 -25.12 2 10 0 128 507.572 9 ↓

Analogs

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Popular Name: N-[4-[2-[4-[(E)-(5-imino-2-methyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2,6-dim N-[4-[2-[4-[(E)-(5-imino-2-methy…

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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) 0.57 6.41 -25.31 2 11 0 137 523.571 9 ↓

Analogs

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Popular Name: N-[4-[2-[4-[(E)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy] N-[4-[2-[4-[(E)-(5-imino-7-oxo-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) 2.07 8.16 -21.81 2 9 0 119 491.573 9 ↓

Analogs

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Popular Name: N-[4-[2-[4-[(E)-[5-imino-7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]meth N-[4-[2-[4-[(E)-[5-imino-7-oxo-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) 1.90 7.03 -17.43 2 9 0 119 517.489 8 ↓

Analogs

32109478
32109478
8916129
8916129

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Popular Name: (6Z)-5-imino-6-[[4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-(trifluoromethyl)-[1,3,4]thiadiazo (6Z)-5-imino-6-[[4-[2-(2-methylp…

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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) 3.09 9.09 -13.13 1 7 0 90 474.464 7 ↓

Analogs

15240750
15240750
9066394
9066394
8452982
8452982

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Popular Name: (6Z)-6-[[3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylene]-5-imino-2-propyl-[1,3,4]th (6Z)-6-[[3-chloro-5-ethoxy-4-[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) 4.04 11.74 -17.28 1 8 0 99 527.046 10 ↓

Analogs

20207492
20207492
20207515
20207515
41077745
41077745
41077757
41077757
41077758
41077758

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Popular Name: (6E)-5-imino-2-methylsulfonyl-6-[[4-(2-phenoxyethoxy)phenyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyri (6E)-5-imino-2-methylsulfonyl-6-…

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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) 1.66 4.37 -21.24 1 9 0 124 470.532 7 ↓

Analogs

15936105
15936105
38143339
38143339
41077760
41077760
41077763
41077763
41077764
41077764

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Popular Name: (6E)-5-imino-6-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-2-methylsulfonyl-[1,3,4]th (6E)-5-imino-6-[[3-methoxy-4-[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) 1.65 5.03 -22.62 1 10 0 133 514.585 8 ↓

Analogs

41083313
41083313
12470982
12470982
12471015
12471015

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Popular Name: N-[4-[2-[4-[(E)-(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-methox N-[4-[2-[4-[(E)-(2-ethyl-5-imino…

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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 7.34 -25.01 2 10 0 128 507.572 9 ↓

Analogs

41107963
41107963

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Popular Name: N-[4-[2-[4-[(E)-(5-imino-2-methyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenoxy] N-[4-[2-[4-[(E)-(5-imino-2-methy…

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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) 0.99 6.6 -23.1 2 9 0 119 463.519 7 ↓

Analogs

41077759
41077759

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Popular Name: (6E)-5-imino-6-[[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylene]-2-methylsulfonyl-[1,3,4]thiadiazolo (6E)-5-imino-6-[[4-[2-(2-methoxy…

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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) 1.27 4.28 -23.59 1 10 0 133 500.558 8 ↓

Analogs

20207488
20207488
20207508
20207508
41077760
41077760
41077762
41077762
41077763
41077763

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Popular Name: (6E)-5-imino-6-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-2-methylsulfonyl-[1,3,4]th (6E)-5-imino-6-[[3-methoxy-4-[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) 1.69 4.96 -22.72 1 10 0 133 514.585 8 ↓

Parameters Provided:

ring.id = 67213
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 = 67213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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