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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-dimethyl-2-[[5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazin-3-yl]sulfanyl]ethanamine N,N-dimethyl-2-[[5-(3-methylsulf…

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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) 0.04 5.12 -41.5 1 7 1 82 310.432 6 ↓
Hi High (pH 8-9.5) 0.04 2.64 -5.96 0 7 0 81 309.424 6 ↓

Analogs

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Popular Name: 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine 3-ethylsulfanyl-5-(3-ethylsulfan…

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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) 0.77 4.64 -5.54 0 6 0 77 280.382 5 ↓

Analogs

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Popular Name: 3-propylsulfanyl-5-(3-propylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine 3-propylsulfanyl-5-(3-propylsulf…

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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) 1.77 6.24 -5.07 0 6 0 77 308.436 7 ↓

Analogs

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Popular Name: 3-ethyl-5-(3-ethyl-1,2,4-triazin-5-yl)-1,2,4-triazine 3-ethyl-5-(3-ethyl-1,2,4-triazin…

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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) -0.50 3.32 -6.05 0 6 0 77 216.248 3 ↓

Analogs

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Popular Name: 3-butylsulfanyl-5-(3-butylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine 3-butylsulfanyl-5-(3-butylsulfan…

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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) 2.89 7.8 -4.86 0 6 0 77 336.49 9 ↓

Analogs

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Popular Name: N,N-diethyl-2-[[5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazin-3-yl]sulfanyl]ethanamine N,N-diethyl-2-[[5-(3-methylsulfa…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 9000 0.32 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80936 Z80936 HEK293 (Embryonic Kidney Fibroblasts) 9000 0.32 ADME/T ≤ 10μM

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) 0.80 6.47 -39.45 1 7 1 82 338.486 8 ↓
Hi High (pH 8-9.5) 0.80 4.3 -5.6 0 7 0 81 337.478 8 ↓

Analogs

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Popular Name: 2-[[5-[3-(2-diethylaminoethylsulfanyl)-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-diethyl- 2-[[5-[3-(2-diethylaminoethylsul…

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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) 1.58 10.04 -79.61 2 8 2 86 424.644 13 ↓
Hi High (pH 8-9.5) 1.58 5.76 -5.08 0 8 0 84 422.628 13 ↓
Hi High (pH 8-9.5) 1.58 7.93 -38.94 1 8 1 85 423.636 13 ↓

Analogs

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Popular Name: 2-[[5-[3-(2-dimethylaminoethylsulfanyl)-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethy 2-[[5-[3-(2-dimethylaminoethylsu…

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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 7.33 -83.42 2 8 2 86 368.536 9 ↓
Hi High (pH 8-9.5) 0.08 2.37 -5.64 0 8 0 84 366.52 9 ↓
Hi High (pH 8-9.5) 0.08 4.84 -41.33 1 8 1 85 367.528 9 ↓

Parameters Provided:

ring.id = 366506
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 = 366506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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