UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6542027
6542027
4216025
4216025

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Popular Name: N,N-dimethyl-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-acetamide N,N-dimethyl-2-[4-oxo-3-(4-sec-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) 4.01 1.42 -14.65 0 5 0 55 395.528 6 ↓

Analogs

6542031
6542031

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Popular Name: N-allyl-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-acetamide N-allyl-2-[4-oxo-3-(4-sec-butylp…

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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) 4.85 0.17 -13.89 1 5 0 63 407.539 8 ↓

Analogs

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Popular Name: 2-(2-diethylaminoethylsulfanyl)-3-(4-methoxyphenyl)-quinazolin-4-one 2-(2-diethylaminoethylsulfanyl)-…

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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) 4.08 1.63 -45.78 1 5 1 48 384.525 8 ↓

Analogs

16425028
16425028
16425221
16425221

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Popular Name: N-(2-dimethylaminoethyl)-N-[(1S)-1-[3-(4-hydroxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1S)…

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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) 6.14 14.39 -50.67 2 7 1 80 507.699 14 ↓

Analogs

16425028
16425028
16425221
16425221

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Popular Name: N-(2-dimethylaminoethyl)-N-[(1R)-1-[3-(4-hydroxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1R)…

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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) 6.14 15.1 -59.23 2 7 1 80 507.699 14 ↓

Analogs

6365283
6365283
6365291
6365291

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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) 4.44 12.65 -11.29 0 7 0 88 426.494 8 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-N-(3-isopropoxypropyl)-4-oxo-quinazoline-7-carboxamide 3-(3-chlorophenyl)-N-(3-isopropo…

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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) 3.36 9.77 -15.2 1 6 0 73 399.878 7 ↓

Analogs

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Popular Name: 3-(2,5-dimethoxyphenyl)-N-isopentyl-4-oxo-quinazoline-7-carboxamide 3-(2,5-dimethoxyphenyl)-N-isopen…

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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 8.48 -16.34 1 7 0 82 395.459 7 ↓
Mid Mid (pH 6-8) 3.68 5.8 -14.03 1 7 0 86 395.459 7 ↓

Analogs

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Popular Name: 4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]benzonitrile 4-[2-(cyanomethylsulfanyl)-4-oxo…

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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) 2.79 10.03 -14.18 0 5 0 82 318.361 3 ↓

Analogs

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Popular Name: 4-(4-oxo-2-propylsulfanyl-quinazolin-3-yl)benzonitrile 4-(4-oxo-2-propylsulfanyl-quinaz…

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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) 3.88 11.08 -10.36 0 4 0 59 321.405 4 ↓

Analogs

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Popular Name: 4-[2-(2-methylallylsulfanyl)-4-oxo-quinazolin-3-yl]benzonitrile 4-[2-(2-methylallylsulfanyl)-4-o…

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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) 4.19 11.51 -10.34 0 4 0 59 333.416 4 ↓

Analogs

4974224
4974224

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Popular Name: N-(2-cyanoethyl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N-(2-cyanoethyl)-2-[3-(4-cyanoph…

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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) 1.56 9.19 -23.5 1 7 0 112 389.44 6 ↓

Analogs

22019495
22019495

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Popular Name: tert-butyl tert-butyl

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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) 4.05 12.35 -12.12 0 6 0 85 393.468 6 ↓

Analogs

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Popular Name: 4-[2-(3-cyanopropylsulfanyl)-4-oxo-quinazolin-3-yl]benzonitrile 4-[2-(3-cyanopropylsulfanyl)-4-o…

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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) 2.73 11.6 -17.66 0 5 0 82 346.415 5 ↓

Analogs

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Popular Name: 4-[2-(2-chloroallylsulfanyl)-4-oxo-quinazolin-3-yl]benzonitrile 4-[2-(2-chloroallylsulfanyl)-4-o…

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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) 3.98 11.37 -11.32 0 4 0 59 353.834 4 ↓

Analogs

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Popular Name: N-(tert-butylcarbamoyl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N-(tert-butylcarbamoyl)-2-[3-(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) 2.94 9.92 -23.83 2 8 0 117 435.509 5 ↓

Analogs

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Popular Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-diisobutyl-acetamide 2-[3-(4-cyanophenyl)-4-oxo-quina…

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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) 4.60 14.15 -14.09 0 6 0 79 448.592 8 ↓

Analogs

4975240
4975240

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Popular Name: N-(2-cyanoethyl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide N-(2-cyanoethyl)-2-[3-(4-cyanoph…

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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 11.31 -20.88 0 7 0 103 403.467 6 ↓

Analogs

58453375
58453375

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Popular Name: N-tert-butyl-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N-tert-butyl-2-[3-(4-cyanophenyl…

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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) 3.29 9.99 -14.59 1 6 0 88 392.484 5 ↓

Analogs

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Popular Name: N,N-diallyl-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N,N-diallyl-2-[3-(4-cyanophenyl)…

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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) 3.64 12.89 -14.74 0 6 0 79 416.506 8 ↓

Analogs

10442047
10442047

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Popular Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide 2-[3-(4-cyanophenyl)-4-oxo-quina…

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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) 2.36 8.51 -15.92 1 7 0 97 408.483 8 ↓

Analogs

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Popular Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide 2-[3-(4-cyanophenyl)-4-oxo-quina…

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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) 1.74 7.95 -24.6 2 9 0 126 437.481 7 ↓

Analogs

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Popular Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-N-(2-methylallyl)acetamide 2-[3-(4-cyanophenyl)-4-oxo-quina…

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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) 3.92 12.96 -14.98 0 6 0 79 418.522 7 ↓

Analogs

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Popular Name: N-carbamoyl-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N-carbamoyl-2-[3-(4-cyanophenyl)…

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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) 1.38 6.64 -25.33 3 8 0 131 379.401 4 ↓

Analogs

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Popular Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide 2-[3-(4-cyanophenyl)-4-oxo-quina…

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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) 3.03 9.14 -14.86 1 6 0 88 418.4 6 ↓

Analogs

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Popular Name: 4-[2-(2-methoxyethylsulfanyl)-4-oxo-quinazolin-3-yl]benzonitrile 4-[2-(2-methoxyethylsulfanyl)-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) 2.98 9.35 -11.36 0 5 0 68 337.404 5 ↓

Analogs

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Popular Name: N-methyl-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide N-methyl-4-(2-methyl-4-oxo-quina…

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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) 1.61 6.69 -15.37 1 5 0 64 293.326 2 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide N-[3-(dimethylamino)-2,2-dimethy…

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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) 2.80 11.04 -50.02 2 6 1 68 393.511 6 ↓

Analogs

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Popular Name: 1-allyl-3-[[4-(2-methyl-4-oxo-quinazolin-3-yl)benzoyl]amino]thiourea 1-allyl-3-[[4-(2-methyl-4-oxo-qu…

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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) 2.20 9.14 -21.51 3 7 0 88 393.472 7 ↓

Analogs

11538509
11538509

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Popular Name: N-(3-isopropoxypropyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-acetamide N-(3-isopropoxypropyl)-2-[4-oxo-…

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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) 5.20 -0.63 -14.58 1 6 0 73 467.635 11 ↓

Analogs

11538508
11538508

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Popular Name: N-(3-isopropoxypropyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-acetamide N-(3-isopropoxypropyl)-2-[4-oxo-…

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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) 5.20 -0.63 -14.61 1 6 0 73 467.635 11 ↓

Analogs

11538535
11538535

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Popular Name: N-(methylcarbamoyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-acetamide N-(methylcarbamoyl)-2-[4-oxo-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) 3.86 -1.45 -23.93 2 7 0 93 424.526 6 ↓

Analogs

11538534
11538534

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Popular Name: N-(methylcarbamoyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-acetamide N-(methylcarbamoyl)-2-[4-oxo-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) 3.86 -1.45 -23.9 2 7 0 93 424.526 6 ↓

Analogs

11538548
11538548
11538549
11538549
11538550
11538550
3532381
3532381
3532382
3532382

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Popular Name: N-(methylcarbamoyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-propanamide N-(methylcarbamoyl)-2-[4-oxo-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) 4.22 -0.79 -23.31 2 7 0 93 438.553 6 ↓

Analogs

11538549
11538549
11538550
11538550
3532381
3532381
3532382
3532382

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Popular Name: N-(methylcarbamoyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-propanamide N-(methylcarbamoyl)-2-[4-oxo-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) 4.22 -0.79 -23.34 2 7 0 93 438.553 6 ↓

Analogs

11538550
11538550
3532381
3532381
3532382
3532382

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Popular Name: N-(methylcarbamoyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-propanamide N-(methylcarbamoyl)-2-[4-oxo-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) 4.22 -0.79 -23.23 2 7 0 93 438.553 6 ↓

Analogs

3532381
3532381
3532382
3532382

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Popular Name: N-(methylcarbamoyl)-2-[4-oxo-3-(4-sec-butylphenyl)-quinazolin-2-yl]sulfanyl-propanamide N-(methylcarbamoyl)-2-[4-oxo-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) 4.22 -0.79 -23.27 2 7 0 93 438.553 6 ↓

Analogs

11538608
11538608

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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) 4.30 0.75 -17.41 1 7 0 90 467.591 11 ↓

Analogs

11538607
11538607

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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) 4.30 0.75 -17.42 1 7 0 90 467.591 11 ↓

Analogs

11538684
11538684

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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) 4.07 0.64 -14.38 1 7 0 90 439.537 9 ↓

Analogs

11538682
11538682

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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) 4.07 0.64 -14.34 1 7 0 90 439.537 9 ↓

Analogs

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Popular Name: N,N-diallyl-2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N,N-diallyl-2-[7-chloro-3-(m-tol…

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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) 5.18 2.21 -11.55 0 5 0 55 439.968 8 ↓

Analogs

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Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-diisopropyl-acetamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 5.23 1.81 -10.46 0 5 0 55 444 6 ↓

Analogs

11539116
11539116
25109611
25109611
25109616
25109616

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Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-1-methyl-ethyl)-acetamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 3.96 -1.03 -11.45 1 6 0 73 431.945 7 ↓

Analogs

25109611
25109611
25109616
25109616
11539115
11539115

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-1-methyl-ethyl)-acetamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 3.96 -1.03 -11.44 1 6 0 73 431.945 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-propanamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 4.68 0.11 -11.67 1 5 0 64 415.946 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-propanamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 4.68 0.1 -11.67 1 5 0 64 415.946 5 ↓

Analogs

11539124
11539124

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,2-dimethylpropyl)acetamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 5.09 0.06 -11.57 1 5 0 64 429.973 6 ↓

Analogs

11539123
11539123

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,2-dimethylpropyl)acetamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 5.09 0.02 -11.59 1 5 0 64 429.973 6 ↓

Analogs

11539206
11539206
21258602
21258602
21258606
21258606
26065843
26065843
26065845
26065845

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide 2-[7-chloro-3-(m-tolyl)-4-oxo-qu…

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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) 3.65 -1.56 -21.07 2 7 0 93 430.917 4 ↓

Parameters Provided:

ring.id = 3343
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 = 3343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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