UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9250946
9250946
2255441
2255441
9461525
9461525

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

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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) 6.22 15.1 -15.38 1 5 0 64 487.669 5 ↓

Analogs

20894503
20894503
1738178
1738178
2219981
2219981

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Popular Name: 2-(3-allyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-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) 6.49 15.75 -15.3 1 5 0 64 499.68 6 ↓

Analogs

9250964
9250964

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Popular Name: 3-butyl-2-(2-hydroxyethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 3-butyl-2-(2-hydroxyethylsulfany…

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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) 5.02 10.76 -11.39 1 4 0 55 398.572 6 ↓

Analogs

9250961
9250961

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Popular Name: 2-(2-hydroxyethylsulfanyl)-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 2-(2-hydroxyethylsulfanyl)-3-(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) 5.49 12.33 -13.39 1 4 0 55 432.589 4 ↓

Analogs

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Popular Name: 3-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] 3-methyl-2-[2-oxo-2-(2-oxochrome…

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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) 5.37 16.96 -27.51 0 6 0 82 498.604 4 ↓

Analogs

40036635
40036635

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Popular Name: 2-(2-hydroxyethylsulfanyl)-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 2-(2-hydroxyethylsulfanyl)-3-(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) 5.31 12.3 -13.06 1 4 0 55 432.589 4 ↓

Analogs

40036693
40036693
40036698
40036698
40036699
40036699
40036704
40036704
40036710
40036710

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Popular Name: 2-((N'E)-N'-benzylidenehydrazino)-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]- 2-((N'E)-N'-benzylidenehydrazino…

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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 17.74 -13.36 1 6 0 69 490.607 5 ↓

Analogs

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Popular Name: 2-(cyclopentylthio)-3-(2-furfuryl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 2-(cyclopentylthio)-3-(2-furfury…

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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) 6.47 1.8 -8.79 0 4 0 48 446.616 4 ↓

Analogs

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Popular Name: 2-[[4-keto-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]-N-(2-methoxy 2-[[4-keto-3-(4-methoxyphenyl)sp…

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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) 6.36 14.97 -15.32 1 7 0 82 567.711 7 ↓

Analogs

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Popular Name: N-(2-furfuryl)-2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]aceta N-(2-furfuryl)-2-[(4-keto-3-phen…

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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) 5.78 15.84 -13.36 1 6 0 77 539.701 8 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[[4-keto-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2 N-(3-chloro-4-methoxy-phenyl)-2-…

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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) 7.40 16.75 -19.23 1 6 0 73 586.157 6 ↓

Analogs

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Popular Name: 2-[[4-keto-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]-N-[2-(trifluoromethy 2-[[4-keto-3-(p-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) 7.59 18.18 -13.53 1 5 0 64 589.683 6 ↓

Analogs

1198723
1198723

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Popular Name: 2-benzyl-3-methyl-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclohexane) 2-benzyl-3-methyl-5,6-dihydro-4(…

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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 1.71 -11.11 0 3 0 34 370.496 2 ↓

Analogs

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

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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) 5.73 1.46 -12.52 0 4 0 44 418.562 3 ↓

Analogs

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Popular Name: 2-[(3-benzyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-(p-tolyl)acetamide 2-[(3-benzyl-4-keto-spiro[6H-ben…

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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) 7.06 17.32 -13.62 1 5 0 64 535.713 6 ↓

Analogs

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

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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) 7.61 1.55 -9.16 0 3 0 34 492.688 6 ↓

Analogs

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

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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) 8.29 1.4 -9.54 0 3 0 34 527.133 6 ↓

Analogs

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Popular Name: 3-allyl-2-(ethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 3-allyl-2-(ethylthio)spiro[6H-be…

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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) 5.24 1.54 -8.08 0 3 0 34 366.53 4 ↓

Analogs

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Popular Name: 2-[[3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]- 2-[[3-[(4S)-2,2-dimethyltetrahyd…

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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) 5.64 1.17 -10.25 0 6 0 70 496.673 6 ↓

Analogs

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Popular Name: 2-[[3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]- 2-[[3-[(4R)-2,2-dimethyltetrahyd…

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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) 5.64 1.17 -10.25 0 6 0 70 496.673 6 ↓

Analogs

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Popular Name: 2-[[(4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexa 2-[[(4-keto-3-phenyl-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) 6.24 16.49 -16.84 1 6 0 81 532.669 4 ↓
Hi High (pH 8-9.5) 6.69 14.18 -55.5 0 6 -1 84 531.661 4 ↓

Analogs

1244886
1244886
1273091
1273091

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Popular Name: 2-[[3-(2-furfuryl)-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]-N-(p-tolyl)aceta 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) 6.32 15.7 -14.35 1 6 0 77 525.674 6 ↓

Analogs

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Popular Name: 2-[(3-benzyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-[3-(trifluoromethyl) 2-[(3-benzyl-4-keto-spiro[6H-ben…

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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) 7.49 17.65 -16.45 1 5 0 64 589.683 7 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[4-keto-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl N-(4-chlorophenyl)-2-[[4-keto-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) 7.21 16.04 -17 1 6 0 73 572.13 6 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-2-[(2,4-dimethylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one 3-(3-bromophenyl)-2-[(2,4-dimeth…

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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) 8.64 19.85 -10.18 0 3 0 35 571.584 4 ↓

Analogs

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Popular Name: 2-[(4-keto-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-(o-tolyl)acetamide 2-[(4-keto-3-phenyl-spiro[6H-ben…

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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) 6.69 0.81 -15.46 1 5 0 63 521.686 5 ↓

Analogs

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Popular Name: 3-allyl-2-(2-propynylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one 3-allyl-2-(2-propynylsulfanyl)-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) 5.02 2.67 -9.1 0 3 0 34 376.525 4 ↓

Analogs

40036611
40036611
40036615
40036615
40036663
40036663
40036668
40036668

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Popular Name: 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one 3-allyl-2-{[2-(4-chlorophenyl)-2…

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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) 6.68 1.65 -11.44 1 0 0 51 491.056 4 ↓

Analogs

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Popular Name: 2-[(3-allyl-4-oxo-3,4,5,6-tetrahydrospiro[benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl]acetonitrile 2-[(3-allyl-4-oxo-3,4,5,6-tetrah…

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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) 4.64 2.61 -10.72 0 4 0 58 377.513 4 ↓

Analogs

40036632
40036632
688697
688697

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Popular Name: ethyl {[3-allyl-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-2-yl]sulfanyl}acetate ethyl {[3-allyl-4-oxo-3,4,5,6-te…

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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 2.39 -9.95 0 5 0 61 424.566 7 ↓

Analogs

2280382
2280382
2326017
2326017

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Popular Name: butyl-isopentylsulfanyl-BLAHone butyl-isopentylsulfanyl-BLAHone

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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 1.81 -7.9 0 3 0 34 424.654 7 ↓

Parameters Provided:

ring.id = 79088
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 = 79088 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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