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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: 2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopent 2-[1-[2-oxo-2-[3-(trifluoromethy…

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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) 1.50 6.19 -14.47 1 10 0 119 517.512 8 ↓

Analogs

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Popular Name: 1-[4-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1 1-[4-(4-methyl-1,2,4-triazol-3-y…

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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) 0.55 12.78 -21.79 0 10 0 102 508.549 6 ↓

Analogs

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Popular Name: N-(2,5-dimethylpyrazol-3-yl)-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a N-(2,5-dimethylpyrazol-3-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) 1.17 9.35 -15.95 1 9 0 98 453.469 6 ↓

Analogs

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]p N-[2-(1H-indol-3-yl)ethyl]-2-[1-…

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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) 2.64 11.04 -15.77 2 8 0 96 502.541 8 ↓

Analogs

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Popular Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[ N-[2-(1H-benzimidazol-2-yl)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) 2.08 9.68 -19.52 2 9 0 109 503.529 8 ↓
Lo Low (pH 4.5-6) 2.08 10.15 -39.42 3 9 1 110 504.537 8 ↓

Analogs

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Popular Name: N-(3-imidazol-1-ylpropyl)-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]py N-(3-imidazol-1-ylpropyl)-2-[1-[…

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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) 0.63 11.07 -41.62 2 9 1 99 468.504 9 ↓
Mid Mid (pH 6-8) 0.63 10.55 -15.99 1 9 0 98 467.496 9 ↓

Analogs

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Popular Name: N-(1-benzyl-4-piperidyl)-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyr N-(1-benzyl-4-piperidyl)-2-[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) 2.50 13.31 -43.34 2 8 1 85 533.619 8 ↓
Hi High (pH 8-9.5) 2.50 11.07 -11.38 1 8 0 83 532.611 8 ↓

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) 1.55 9.49 -15.06 1 10 0 110 514.549 8 ↓

Analogs

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Popular Name: N-[2-(1-methylindol-3-yl)ethyl]-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4, N-[2-(1-methylindol-3-yl)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) 2.70 12.75 -15.3 1 8 0 85 516.568 8 ↓

Analogs

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Popular Name: 2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopent 2-[1-[2-oxo-2-[3-(trifluoromethy…

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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) 2.75 12.5 -14.48 1 8 0 87 514.552 5 ↓

Analogs

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Popular Name: N-[(3-amino-1,2-benzoxazol-5-yl)methyl]-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]tri N-[(3-amino-1,2-benzoxazol-5-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) 1.46 8.59 -16.79 3 10 0 132 505.501 7 ↓

Analogs

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Popular Name: N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]tri N-[2-(2-oxo-3H-benzimidazol-1-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) 1.51 9.36 -18.84 2 10 0 118 519.528 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopent 2-[1-[2-oxo-2-[3-(trifluoromethy…

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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) 2.14 12.16 -17.22 1 9 0 98 529.567 9 ↓

Analogs

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Popular Name: 1-[4-[3-(dimethylamino)propyl]-1,4-diazepan-1-yl]-2-[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H- 1-[4-[3-(dimethylamino)propyl]-1…

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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) 1.39 12.3 -42.68 1 9 1 79 528.644 9 ↓
Mid Mid (pH 6-8) 1.39 14.14 -108.7 2 9 2 80 529.652 9 ↓

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page.format = targets
page.num = 1
catalog.name = mcc-v
filter.purchasability = purchasable

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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  WHERE c.free = 1 AND c.short_name LIKE 'mcc-v' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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