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

Analogs

35508767
35508767
35508929
35508929
35508932
35508932
4897980
4897980

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine N-(1,3-benzodioxol-5-ylmethyl)-5…

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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) 2.51 10.48 -14.52 1 7 0 74 323.356 3 ↓

Analogs

35508821
35508821
35508835
35508835
35508878
35508878
35508905
35508905
35508919
35508919

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.86 10.31 -15.62 1 7 0 74 323.356 2 ↓

Analogs

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Popular Name: N-[(3-chloro-4-methyl-phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine N-[(3-chloro-4-methyl-phenyl)met…

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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) 3.67 12.97 -12.31 1 5 0 55 327.819 3 ↓

Analogs

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Popular Name: 9-(4-phenyl-1-piperidyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline 9-(4-phenyl-1-piperidyl)-5,6,7,8…

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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) 3.93 14.25 -10.55 0 5 0 46 333.439 2 ↓

Analogs

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Popular Name: 2-furyl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)piperazin-1-yl]methanone 2-furyl-[4-(5,6,7,8-tetrahydro-[…

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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) 1.64 10.62 -16.59 0 8 0 80 352.398 2 ↓

Analogs

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Popular Name: 9-(4-cinnamylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline 9-(4-cinnamylpiperazin-1-yl)-5,6…

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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) 3.71 15.73 -50.89 1 6 1 51 375.5 4 ↓
Mid Mid (pH 6-8) 3.71 13.4 -11.65 0 6 0 50 374.492 4 ↓

Analogs

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Popular Name: 9-[4-[(1R)-1-phenylethyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline 9-[4-[(1R)-1-phenylethyl]piperaz…

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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) 3.31 12.89 -10.73 0 6 0 50 362.481 3 ↓
Mid Mid (pH 6-8) 3.31 14.69 -45.66 1 6 1 51 363.489 3 ↓

Analogs

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Popular Name: 9-[4-[(1S)-1-phenylethyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline 9-[4-[(1S)-1-phenylethyl]piperaz…

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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) 3.31 12.9 -10.54 0 6 0 50 362.481 3 ↓
Mid Mid (pH 6-8) 3.31 14.85 -45.34 1 6 1 51 363.489 3 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-9-one 2-(4-methoxyphenyl)-5,6,7,8-tetr…

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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) 3.31 7.68 -50.76 0 6 -1 75 295.322 2 ↓
Lo Low (pH 4.5-6) 2.86 9.08 -19.37 1 6 0 72 296.33 2 ↓

Analogs

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Popular Name: 2-ethylsulfanyl-N-(2-morpholinoethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine 2-ethylsulfanyl-N-(2-morpholinoe…

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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) 2.39 8.49 -13.79 1 7 0 68 362.503 6 ↓

Parameters Provided:

ring.id = 73141
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 = 73141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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