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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-[[(3S)-4-[(2-fluorophenyl)methyl]-5-oxo-3H-1,2,4-triazol-3-yl]methyl]-N-methyl-methanesulfonamide N-[[(3S)-4-[(2-fluorophenyl)meth…

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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) 0.10 3.47 -28.54 1 7 0 88 314.342 5 ↓

Analogs

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Popular Name: (3S)-3-(methylaminomethyl)-4-(o-tolylmethyl)-3H-1,2,4-triazol-5-one (3S)-3-(methylaminomethyl)-4-(o-…

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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) 0.76 5.48 -52.24 3 5 1 67 233.295 4 ↓
Mid Mid (pH 6-8) 0.76 4.03 -10.37 2 5 0 63 232.287 4 ↓

Analogs

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Popular Name: (3S)-4-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-3H-1,2,4-triazol-5-one (3S)-4-[(1R)-1-(4-fluorophenyl)e…

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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) 1.31 5.63 -12.27 1 4 0 51 221.235 2 ↓

Analogs

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Popular Name: (3S)-4-[(1R)-1-(4-fluorophenyl)ethyl]-3-(isopropoxymethyl)-3H-1,2,4-triazol-5-one (3S)-4-[(1R)-1-(4-fluorophenyl)e…

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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) 2.02 6.29 -13.71 1 5 0 60 279.315 5 ↓

Analogs

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Popular Name: (3S)-4-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-1,2,4-triazol-5-one (3S)-4-[(2,4-dichlorophenyl)meth…

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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) 2.07 6.01 -12.91 1 4 0 51 258.108 2 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-4-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-one 3-(2-aminoethyl)-4-[(2-fluorophe…

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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) -0.10 3.41 -70.51 4 5 1 78 237.258 4 ↓

Parameters Provided:

ring.id = 397293
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 = 397293 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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