UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-[(Z)-(5-imino-3-methylsulfanyl-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]phenyl] [4-[(Z)-(5-imino-3-methylsulfany…

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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) 1.83 8.4 -17.16 1 8 0 111 412.452 5 ↓
Mid Mid (pH 6-8) 1.83 8.28 -115.97 3 8 2 114 414.468 5 ↓

Analogs

15936891
15936891

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Popular Name: (Z)-4-((5-imino-3-(isopropylsulfonyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl)-2-methoxyphenyl furan-2-carboxylate (Z)-4-((5-imino-3-(isopropylsulf…

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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) 1.03 6.17 -25.05 1 11 0 154 502.53 7 ↓

Analogs

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Popular Name: (Z)-4-((5-imino-3-(isopropylsulfonyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl)phenyl furan-2-carboxylate (Z)-4-((5-imino-3-(isopropylsulf…

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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 6.52 -51.63 2 10 1 146 473.512 6 ↓
Hi High (pH 8-9.5) 1.44 6.45 -20.3 1 10 0 145 472.504 6 ↓

Analogs

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Popular Name: (Z)-4-((5-imino-3-(isobutylsulfonyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl)phenyl furan-2-carboxylate (Z)-4-((5-imino-3-(isobutylsulfo…

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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) 1.83 7.49 -52.16 2 10 1 146 487.539 7 ↓
Hi High (pH 8-9.5) 1.83 7.49 -20.2 1 10 0 145 486.531 7 ↓

Analogs

15936883
15936883

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

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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 6.5 -57.53 2 11 1 156 503.538 8 ↓
Hi High (pH 8-9.5) 1.05 6.55 -23.94 1 11 0 154 502.53 8 ↓
Lo Low (pH 4.5-6) 1.05 6.49 -121.82 3 11 2 157 504.546 8 ↓

Analogs

15936882
15936882

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Popular Name: [4-[(Z)-(3-ethylsulfonyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]-2-methox [4-[(Z)-(3-ethylsulfonyl-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) 0.67 5.68 -25.91 1 11 0 154 488.503 7 ↓
Lo Low (pH 4.5-6) 0.67 5.59 -123.17 3 11 2 157 490.519 7 ↓

Analogs

15936876
15936876

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Popular Name: (Z)-2-ethoxy-4-((5-imino-3-(isopropylsulfonyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl)phenyl furan-2-carboxylate (Z)-2-ethoxy-4-((5-imino-3-(isop…

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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) 1.41 7.08 -55.3 2 11 1 156 517.565 8 ↓
Hi High (pH 8-9.5) 1.41 7.38 -23.71 1 11 0 154 516.557 8 ↓

Analogs

20114647
20114647

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Popular Name: [4-[(Z)-(5-imino-3-methylsulfanyl-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]-2-metho [4-[(Z)-(5-imino-3-methylsulfany…

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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) 1.42 8.12 -20 1 9 0 120 442.478 6 ↓
Mid Mid (pH 6-8) 1.42 8.01 -121.19 3 9 2 123 444.494 6 ↓

Parameters Provided:

ring.id = 253884
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 = 253884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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