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

Analogs

9136449
9136449
2245899
2245899

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Popular Name: 3-(2-furylmethyl)-2-(o-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one 3-(2-furylmethyl)-2-(o-tolylmeth…

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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) 6.56 16.65 -8.82 0 4 0 48 468.622 5 ↓

Analogs

40036618
40036618
40036673
40036673
20894500
20894500
1738178
1738178
2219981
2219981

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Popular Name: 2-(3-allyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N-(3,4-dimethylphenyl 2-(3-allyl-4-oxo-spiro[6H-benzo[…

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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) 5.98 15.03 -14.14 1 5 0 64 485.653 6 ↓

Analogs

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Popular Name: 2-(butylsulfanyl)-3-(2-methylphenyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one 2-(butylsulfanyl)-3-(2-methylphe…

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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) 7.03 16.73 -9.26 0 3 0 35 430.617 5 ↓

Analogs

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Popular Name: 3-(3-methoxyphenyl)-2-(2-methylallylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one 3-(3-methoxyphenyl)-2-(2-methyla…

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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) 6.42 1.96 -10.83 0 4 0 44 444.6 5 ↓

Analogs

40036633
40036633
40036635
40036635

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Popular Name: 2-[[4-keto-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]thio]acetic-acid-ethyl-es 2-[[4-keto-3-(o-tolyl)spiro[6H-b…

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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 16.1 -11.03 0 5 0 61 460.599 6 ↓

Analogs

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Popular Name: 2-[[3-(2-furfuryl)-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]thio]-N,N-diphenyl-ac 2-[[3-(2-furfuryl)-4-keto-spiro[…

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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) 7.31 19.27 -12.65 0 6 0 68 573.718 7 ↓

Analogs

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Popular Name: 2-(butylsulfanyl)-3-(cyclopentylmethyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one 2-(butylsulfanyl)-3-(cyclopentyl…

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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) 6.93 0.92 -7.34 0 3 0 34 422.638 6 ↓

Analogs

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Popular Name: 2-(methylthio)-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one 2-(methylthio)-3-(m-tolyl)spiro[…

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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) 5.62 1.48 -9.87 0 3 0 34 388.536 2 ↓

Analogs

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Popular Name: 2-[[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclope 2-[[[4-keto-3-(o-tolyl)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) 6.34 16.72 -16.55 1 6 0 81 532.669 4 ↓
Hi High (pH 8-9.5) 6.80 14.5 -50.98 0 6 -1 84 531.661 4 ↓

Analogs

8432038
8432038

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Popular Name: 3-(2-methoxyphenyl)-2-(propylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one 3-(2-methoxyphenyl)-2-(propylthi…

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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) 6.08 14.52 -12.2 0 4 0 44 432.589 5 ↓

Analogs

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Popular Name: 2-(allylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one 2-(allylthio)-3-phenethyl-spiro[…

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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) 6.16 1.54 -7.92 0 3 0 34 428.601 6 ↓

Analogs

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Popular Name: 2-(butylsulfanyl)-3-cyclopentyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one 2-(butylsulfanyl)-3-cyclopentyl-…

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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) 6.55 0.66 -6.47 0 3 0 34 408.611 5 ↓

Analogs

40036599
40036599
40036606
40036606
40036644
40036644
40036658
40036658

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Popular Name: 2-(benzylsulfanyl)-3-ethyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one 2-(benzylsulfanyl)-3-ethyl-5,6-d…

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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) 5.68 0.98 -7.98 0 3 0 34 402.563 4 ↓

Analogs

40036612
40036612
40036614
40036614
40036664
40036664
40036666
40036666
40036669
40036669

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Popular Name: 3-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one 3-(4-methylphenyl)-2-[(2-oxo-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) 6.58 1.76 -12.82 0 4 0 51 492.644 5 ↓

Analogs

40036597
40036597
40036604
40036604
40036642
40036642
40036656
40036656

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-(benzylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one 3-allyl-2-(benzylsulfanyl)-5,6-d…

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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) 5.95 1.43 -7.53 0 3 0 34 414.574 5 ↓

Parameters Provided:

ring.id = 79083
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 = 79083 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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