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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7181069
7181069

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Popular Name: 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine 6-[(5-methylsulfanyl-1,3,4-thiad…

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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) 0.65 -6.28 -9.67 4 7 0 116 287.399 4 ↓

Analogs

8980737
8980737

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Popular Name: 6-[1-[(5-isopropylamino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-N',N'-dimethyl-1,3,5-triazine-2,4-diam 6-[1-[(5-isopropylamino-1,3,4-th…

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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) 2.10 8.61 -10.54 3 8 0 106 340.482 6 ↓

Analogs

8980733
8980733

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Popular Name: 6-[1-[(5-isopropylamino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-N',N'-dimethyl-1,3,5-triazine-2,4-diam 6-[1-[(5-isopropylamino-1,3,4-th…

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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) 2.10 8.61 -10.53 3 8 0 106 340.482 6 ↓

Analogs

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Popular Name: N4-butyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine N4-butyl-6-[(5-methyl-1,3,4-thia…

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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) 1.87 7.3 -9.95 3 7 0 103 311.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-isopropoxy-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine 6-[(5-isopropoxy-1,3,4-thiadiazo…

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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) 0.84 2.86 -8.93 4 8 0 126 299.385 5 ↓

Parameters Provided:

ring.id = 5180
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 = 5180 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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