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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CCN1CCN(CC1)c2c3ccccc3nc(n2)c4ccc(cc4)[N+](=O)[O-] CCN1CCN(CC1)c2c3ccccc3nc(n2)c4cc…

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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) 4.11 -0.34 -46.09 1 7 1 79 364.429 4 ↓

Analogs

6510621
6510621

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Popular Name: N,N-dimethyl-2-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]acetamide N,N-dimethyl-2-[4-(2-phenylquina…

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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) 2.68 10.02 -28.53 1 6 1 54 376.484 4 ↓
Mid Mid (pH 6-8) 2.68 9.66 -13.89 0 6 0 53 375.476 4 ↓
Mid Mid (pH 6-8) 2.68 9.99 -28.99 1 6 1 54 376.484 4 ↓

Analogs

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Popular Name: 1-[4-[2-(3-bromophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one 1-[4-[2-(3-bromophenyl)quinazoli…

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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) 5.53 13.32 -12.23 0 5 0 49 453.384 4 ↓
Lo Low (pH 4.5-6) 5.53 13.66 -34.66 1 5 1 51 454.392 4 ↓

Analogs

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Popular Name: 1-[4-[2-(3-bromophenyl)quinazolin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one 1-[4-[2-(3-bromophenyl)quinazoli…

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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) 5.85 13.84 -11.3 0 5 0 49 467.411 4 ↓
Lo Low (pH 4.5-6) 5.85 14.19 -33.74 1 5 1 51 468.419 4 ↓

Analogs

6773781
6773781

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Popular Name: 1-[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one 1-[4-[7-chloro-2-(2-chlorophenyl…

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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) 6.03 14.15 -11.99 0 5 0 49 443.378 4 ↓

Analogs

25147576
25147576

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Popular Name: 4-(4-propylpiperazin-1-yl)-2-(p-tolyl)quinazoline 4-(4-propylpiperazin-1-yl)-2-(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) 5.10 13.95 -94.53 2 4 2 35 348.494 4 ↓
Hi High (pH 8-9.5) 5.10 11.41 -8.5 0 4 0 32 346.478 4 ↓

Analogs

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Popular Name: BRD-K05084492-003-01-3 BRD-K05084492-003-01-3

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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) 5.85 14.86 -93.36 2 4 2 35 376.548 4 ↓
Mid Mid (pH 6-8) 5.85 12.3 -8.01 0 4 0 32 374.532 4 ↓
Lo Low (pH 4.5-6) 5.85 14.86 -78.97 2 4 2 35 376.548 4 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline 2-(4-tert-butylphenyl)-4-(4-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) 5.48 14.18 -93.53 2 4 2 35 362.521 3 ↓

Parameters Provided:

ring.id = 221972
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 = 221972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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