UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-chloro-2-methyl-anilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(4-chloro-2-methyl-anilino)me…

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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 12.47 -10.81 1 6 0 64 367.84 4 ↓

Analogs

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Popular Name: 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]benzamide 2-[(4-ethyl-5-oxo-[1,2,4]triazol…

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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 8.35 -17.47 3 8 0 107 362.393 5 ↓

Analogs

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Popular Name: 4-ethyl-1-[(2-isopropylanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4-ethyl-1-[(2-isopropylanilino)m…

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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) 3.61 13.23 -9.99 1 6 0 64 361.449 5 ↓

Analogs

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Popular Name: 4-ethyl-1-[(2,3,4-trifluoroanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4-ethyl-1-[(2,3,4-trifluoroanili…

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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) 2.97 11.38 -16.68 1 6 0 64 373.338 4 ↓

Analogs

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Popular Name: 1-[(2,5-difluoroanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(2,5-difluoroanilino)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) 2.88 11.33 -11.22 1 6 0 64 355.348 4 ↓

Analogs

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Popular Name: 1-[(3,4-difluoroanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(3,4-difluoroanilino)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) 2.50 10.35 -14.56 1 6 0 64 341.321 3 ↓

Analogs

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Popular Name: 4-ethyl-1-[(2-fluoro-4-methyl-anilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4-ethyl-1-[(2-fluoro-4-methyl-an…

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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) 3.16 11.94 -12.19 1 6 0 64 351.385 4 ↓

Analogs

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Popular Name: 1-[(2-acetylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(2-acetylanilino)methyl]-4-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) 2.47 11.98 -15.89 1 7 0 81 361.405 5 ↓

Analogs

25616364
25616364

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Popular Name: 4-ethyl-1-[[(2,4,6-trimethylphenyl)amino]methyl]-[1,2,4]triazolo[4,5-a]quinazolin-5-one 4-ethyl-1-[[(2,4,6-trimethylphen…

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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) 2.89 13.12 -12.32 1 6 0 64 361.449 4 ↓

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) 2.88 11.92 -13.17 1 8 0 91 395.394 6 ↓

Analogs

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Popular Name: 1-[(4-tert-butylanilino)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(4-tert-butylanilino)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) 4.33 13.49 -9.96 1 6 0 64 375.476 5 ↓

Analogs

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Popular Name: N-[3-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]acetamide N-[3-[(4-ethyl-5-oxo-[1,2,4]tria…

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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) 1.81 10.06 -16.19 2 8 0 93 376.42 5 ↓

Parameters Provided:

ring.id = 29545
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 = 29545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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