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

Analogs

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Popular Name: 2-[3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetic 2-[3-[2-(4-methylsulfonylpiperaz…

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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) -0.60 5.04 -58.75 0 10 -1 129 404.494 8 ↓

Analogs

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Popular Name: (2R)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1- (2R)-2-[[4-amino-5-(trifluoromet…

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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) 0.75 4.34 -9.59 2 7 0 80 352.386 5 ↓
Mid Mid (pH 6-8) 0.75 6.61 -47.65 3 7 1 81 353.394 5 ↓

Analogs

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Popular Name: (2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1- (2S)-2-[[4-amino-5-(trifluoromet…

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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) 0.75 4.28 -9.54 2 7 0 80 352.386 5 ↓
Mid Mid (pH 6-8) 0.75 6.54 -47.75 3 7 1 81 353.394 5 ↓

Analogs

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Popular Name: 2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone 2-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 0.16 7.73 -48.56 3 7 1 81 299.424 4 ↓
Mid Mid (pH 6-8) 0.16 5.37 -12.36 2 7 0 80 298.416 4 ↓

Analogs

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Popular Name: 2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperazin-1-yl-ethanone 2-[(5-amino-4-isopropyl-1,2,4-tr…

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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) -0.43 5.5 -53.56 4 7 1 94 285.397 4 ↓
Mid Mid (pH 6-8) -0.43 4.2 -12.59 3 7 0 89 284.389 4 ↓

Analogs

39565349
39565349

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Popular Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone 2-[(4-isopropyl-1,2,4-triazol-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) 0.36 8.33 -47.42 1 6 1 55 284.409 4 ↓
Mid Mid (pH 6-8) 0.36 5.98 -11.28 0 6 0 54 283.401 4 ↓

Analogs

43402781
43402781
43402783
43402783

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Popular Name: (2R)-1-(4-ethylpiperazin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one (2R)-1-(4-ethylpiperazin-1-yl)-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) 0.36 6.02 -11.61 0 6 0 54 283.401 4 ↓
Mid Mid (pH 6-8) 0.36 8.24 -47.71 1 6 1 55 284.409 4 ↓

Analogs

43402781
43402781
43402783
43402783

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one (2S)-1-(4-ethylpiperazin-1-yl)-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) 0.36 5.98 -11.62 0 6 0 54 283.401 4 ↓
Mid Mid (pH 6-8) 0.36 8.19 -47.87 1 6 1 55 284.409 4 ↓

Parameters Provided:

ring.id = 43306
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 = 43306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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