UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8721906
8721906

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Popular Name: 8-(1-ethylpropyl)-5-imino-4-[(3,4,5-trimethoxyphenyl)methylene]-9-thia-2,6,7-triazabicyclo[4.3.0]non 8-(1-ethylpropyl)-5-imino-4-[(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) 1.41 6.54 -13.98 1 8 0 99 416.503 7 ↓

Analogs

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Popular Name: 8-(1-ethylpropyl)-5-imino-4-[(4-isopropylphenyl)methylene]-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1,7 8-(1-ethylpropyl)-5-imino-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) 3.29 -0.46 -10.44 1 5 0 71 368.506 5 ↓

Analogs

4550737
4550737

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Popular Name: (6Z)-6-[(2,5-dimethoxyphenyl)methylene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(2,5-dimethoxyphenyl)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) 0.08 3.55 -17.07 1 7 0 90 330.369 3 ↓

Analogs

4725383
4725383
8452994
8452994
41083122
41083122

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Popular Name: (Z)-6-benzylidene-2-butyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-benzylidene-2-butyl-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) 1.67 7.25 -12.35 1 5 0 71 312.398 4 ↓

Analogs

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Popular Name: (Z)-5-imino-2-isobutyl-6-(4-isopropylbenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-2-isobutyl-6-(4-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) 2.87 9.1 -11.85 1 5 0 71 354.479 4 ↓

Analogs

13424182
13424182

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Popular Name: 4-[(2,5-dimethoxyphenyl)methylene]-5-imino-8-methyl-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1,7-dien-3 4-[(2,5-dimethoxyphenyl)methylen…

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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) 0.08 -1.84 -16.28 1 7 0 89 330.369 3 ↓

Parameters Provided:

ring.id = 1673
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 = 1673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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