UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(4-nitrophenyl)quinazolin-4-yl]-phenethyl-amine [2-(4-nitrophenyl)quinazolin-4-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) 5.40 -0.05 -11.04 1 6 0 83 370.412 6 ↓

Analogs

25150455
25150455
34860213
34860213

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Popular Name: phenethyl-[2-(p-tolyl)quinazolin-4-yl]amine phenethyl-[2-(p-tolyl)quinazolin…

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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) 5.89 -0.25 -11.34 1 3 0 37 339.442 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-3-[[2-(4-methoxyphenyl)quinazolin-4-yl]-phenethyl-amino]propanamide N-(2-methoxyethyl)-3-[[2-(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) 5.10 12.7 -13.77 1 7 0 77 484.6 12 ↓
Mid Mid (pH 6-8) 5.10 13.04 -31.45 2 7 1 78 485.608 12 ↓

Analogs

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Popular Name: 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-phenethyl-amino]propanoic 3-[[2-(2-chlorophenyl)quinazolin…

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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) 5.83 16.8 -51.48 0 5 -1 69 430.915 8 ↓
Lo Low (pH 4.5-6) 5.83 17.16 -53.7 1 5 0 70 431.923 8 ↓

Analogs

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Popular Name: 3-[[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]-phenethyl-amino]propanoic 3-[[7-chloro-2-(2-chlorophenyl)q…

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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) 6.48 17.3 -48.01 0 5 -1 69 465.36 8 ↓

Analogs

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Popular Name: 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-phenethyl-amino]-N-isopropyl-propanamide 3-[[2-(4-fluorophenyl)quinazolin…

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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) 5.90 15.19 -11.28 1 5 0 58 456.565 9 ↓
Lo Low (pH 4.5-6) 5.90 15.53 -32.77 2 5 1 59 457.573 9 ↓

Analogs

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Popular Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-phenethyl-amino]propanoic 3-[[2-(3-bromophenyl)quinazolin-…

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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) 5.99 16.48 -49.37 0 5 -1 69 475.366 8 ↓
Lo Low (pH 4.5-6) 5.99 16.82 -54.43 1 5 0 70 476.374 8 ↓

Analogs

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Popular Name: 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-phenethyl-amino]propanoic 3-[[7-chloro-2-(4-fluorophenyl)q…

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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) 6.02 16.43 -45.51 0 5 -1 69 448.905 8 ↓

Analogs

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Popular Name: 3-[[2-(4-chlorophenyl)quinazolin-4-yl]-phenethyl-amino]propanoic 3-[[2-(4-chlorophenyl)quinazolin…

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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) 5.88 16.37 -49.08 0 5 -1 69 430.915 8 ↓
Lo Low (pH 4.5-6) 5.88 16.72 -51.66 1 5 0 70 431.923 8 ↓

Analogs

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Popular Name: N-isobutyl-3-[[2-(4-methoxyphenyl)quinazolin-4-yl]-phenethyl-amino]propanamide N-isobutyl-3-[[2-(4-methoxypheny…

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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) 6.24 15.13 -12.54 1 6 0 67 482.628 11 ↓
Mid Mid (pH 6-8) 6.24 15.48 -31.22 2 6 1 69 483.636 11 ↓

Analogs

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Popular Name: 3-[[2-(4-chlorophenyl)quinazolin-4-yl]-phenethyl-amino]-N-(2-methoxyethyl)propanamide 3-[[2-(4-chlorophenyl)quinazolin…

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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) 5.72 13.91 -12.02 1 6 0 67 489.019 11 ↓
Lo Low (pH 4.5-6) 5.72 14.26 -32.61 2 6 1 69 490.027 11 ↓

Analogs

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Popular Name: 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-phenethyl-amino]-N-(2-methoxyethyl)propanamide 3-[[7-chloro-2-(4-fluorophenyl)q…

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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) 5.86 13.97 -11.02 1 6 0 67 507.009 11 ↓

Analogs

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Popular Name: 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-phenethyl-amino]propanoic 3-[[2-(4-fluorophenyl)quinazolin…

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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) 5.36 15.92 -49.09 0 5 -1 69 414.46 8 ↓
Lo Low (pH 4.5-6) 5.36 16.27 -52.14 1 5 0 70 415.468 8 ↓

Parameters Provided:

ring.id = 222594
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 = 222594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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