UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 1.22 5.71 -12.53 1 7 0 94 332.385 8 ↓

Analogs

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Popular Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide 2-[(5-phenyl-1,2,4-triazin-3-yl)…

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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) 0.61 2.36 -14.36 2 5 0 82 246.295 4 ↓

Analogs

11813531
11813531

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Popular Name: (2S)-1-[[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]amino]butan-2-ol (2S)-1-[[5-(3-fluorophenyl)-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) 1.51 -2.19 -7.32 2 5 0 71 262.288 5 ↓

Analogs

11813529
11813529

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Popular Name: (2R)-1-[[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]amino]butan-2-ol (2R)-1-[[5-(3-fluorophenyl)-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) 1.51 -2.13 -7.23 2 5 0 71 262.288 5 ↓

Analogs

33824471
33824471

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Popular Name: N,N-diethyl-N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-N'-methyl-ethane-1,2-diamine N,N-diethyl-N'-[5-(4-methoxyphen…

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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) 2.22 2.32 -36.42 1 6 1 56 316.429 8 ↓

Analogs

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Popular Name: N-(2-methylsulfanylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine N-(2-methylsulfanylethyl)-5-(3,4…

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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) 1.29 -0.09 -11.63 1 7 0 78 336.417 8 ↓

Analogs

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Popular Name: methyl 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) 0.98 0.62 -15.75 1 8 0 95 318.333 8 ↓

Analogs

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Popular Name: (2S)-2-[[5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazin-3-yl]amino]-4-methyl-pentanamide (2S)-2-[[5-(3-fluoro-4-methoxy-p…

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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) 2.22 -1.43 -17.56 3 7 0 103 333.367 7 ↓

Analogs

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Popular Name: 1-[2-[isopropyl(methyl)amino]ethyl]-3-(5-phenyl-1,2,4-triazin-3-yl)urea 1-[2-[isopropyl(methyl)amino]eth…

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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) 1.49 7.76 -45.94 3 7 1 84 315.401 6 ↓

Analogs

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Popular Name: methyl 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) 0.39 3.54 -14.64 3 9 0 118 288.267 4 ↓
Hi High (pH 8-9.5) 0.02 1.88 -48.18 2 9 -1 124 287.259 5 ↓

Analogs

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Popular Name: 5-(4-ethylphenyl)-6-methyl-1,2,4-triazin-3-amine 5-(4-ethylphenyl)-6-methyl-1,2,4…

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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) 2.31 6.25 -7.7 2 4 0 65 214.272 2 ↓

Parameters Provided:

ring.id = 23275
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 = 23275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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