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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)propanamide N-[(1S)-1-(2,4-dichlorophenyl)et…

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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) 2.62 4.27 -34.17 2 6 -1 94 372.257 5 ↓

Analogs

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Popular Name: 2-[(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)amino]acetamide 2-[(5-hydroxy-3-sulfanyl-1,2,4-t…

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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) -1.70 -4.19 -36.82 4 7 -1 120 200.203 3 ↓
Mid Mid (pH 6-8) -2.16 -2.96 -12.93 5 7 0 117 201.211 3 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-2-methyl-5-oxo-3-sulfanyl-1,2,4-triazine-6-carboxamide N-(2-diethylaminoethyl)-2-methyl…

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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) -0.13 2.29 -66.62 2 7 0 87 285.373 6 ↓
Hi High (pH 8-9.5) -0.13 0.19 -45.63 1 7 -1 86 284.365 6 ↓
Mid Mid (pH 6-8) -0.59 4.3 -48.6 3 7 1 84 286.381 6 ↓

Analogs

17064119
17064119
17064121
17064121
17064123
17064123

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Popular Name: 6-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]-3-sulfanyl-1,2,4-triazin-5-ol 6-[(1Z,3Z)-4-phenylbuta-1,3-dien…

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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) 2.72 5.29 -32.65 1 4 -1 65 256.31 3 ↓
Lo Low (pH 4.5-6) 2.27 6.39 -8.16 2 4 0 62 257.318 3 ↓

Analogs

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Popular Name: 4-Amino-3-mercapto-6-(4-methoxy-benzyl)-4H-[1,2,4]triazin-5-one 4-Amino-3-mercapto-6-(4-methoxy-…

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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) 1.30 2.52 -32.71 2 6 -1 89 263.302 3 ↓
Lo Low (pH 4.5-6) 0.84 3.75 -9.11 3 6 0 86 264.31 3 ↓
Lo Low (pH 4.5-6) 1.30 2.65 -21.03 3 6 0 90 264.31 3 ↓

Analogs

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Popular Name: pentamethylBLAHthiol pentamethylBLAHthiol

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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) 3.58 10.33 -16.76 1 4 0 47 310.426 0 ↓
Mid Mid (pH 6-8) 4.31 9.96 -56.09 0 4 -1 44 309.418 0 ↓
Mid Mid (pH 6-8) 3.58 10.13 -14.82 1 4 0 47 310.426 0 ↓

Analogs

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Popular Name: 5-(3-pyridylmethylamino)-2H-1,2,4-triazine-3-thione 5-(3-pyridylmethylamino)-2H-1,2,…

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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) -0.59 3.02 -21.86 2 5 0 66 219.273 3 ↓
Lo Low (pH 4.5-6) -0.59 3.3 -60.13 3 5 1 68 220.281 3 ↓

Analogs

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Popular Name: 6-ethyl-3-sulfanyl-1,2,4-triazin-5-ol 6-ethyl-3-sulfanyl-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) 0.38 1.38 -33.01 1 4 -1 65 156.19 1 ↓
Mid Mid (pH 6-8) -0.08 1.52 -8.44 2 4 0 62 157.198 1 ↓

Analogs

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Popular Name: 2-(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)acetic 2-(5-hydroxy-3-sulfanyl-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) -0.75 -0.69 -93.9 1 6 -2 105 185.164 2 ↓
Mid Mid (pH 6-8) -1.21 -0.54 -49.3 2 6 -1 102 186.172 2 ↓

Analogs

6412369
6412369
6685091
6685091
6685137
6685137

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Popular Name: 4-[(E)-(3,4-diethoxyphenyl)methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one 4-[(E)-(3,4-diethoxyphenyl)methy…

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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) 1.71 6.14 -40.6 0 7 -1 85 333.393 6 ↓
Mid Mid (pH 6-8) 1.25 7.28 -13.44 1 7 0 82 334.401 6 ↓

Parameters Provided:

ring.id = 74623
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 = 74623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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