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Analogs

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Popular Name: (1S)-1-(3-chloro-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1S)-1-(3-chloro-4-quinazolin-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) 2.26 8.07 -54.27 3 3 1 53 316.837 3 ↓
Hi High (pH 8-9.5) 2.26 7.74 -8.76 2 3 0 52 315.829 3 ↓

Analogs

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Popular Name: (1R)-1-(3-chloro-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1R)-1-(3-chloro-4-quinazolin-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) 2.26 8.07 -55.03 3 3 1 53 316.837 3 ↓
Hi High (pH 8-9.5) 2.26 7.75 -8.26 2 3 0 52 315.829 3 ↓

Analogs

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Popular Name: (1S)-1-(3-bromo-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1S)-1-(3-bromo-4-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) 2.39 8.18 -54.19 3 3 1 53 361.288 3 ↓
Hi High (pH 8-9.5) 2.39 7.84 -8.6 2 3 0 52 360.28 3 ↓

Analogs

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Popular Name: (1R)-1-(3-bromo-4-quinazolin-4-ylsulfanyl-phenyl)ethanamine (1R)-1-(3-bromo-4-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) 2.39 8.17 -54.98 3 3 1 53 361.288 3 ↓
Hi High (pH 8-9.5) 2.39 7.84 -8.09 2 3 0 52 360.28 3 ↓

Analogs

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Popular Name: 2-methyl-5-quinazolin-4-ylsulfanyl-aniline 2-methyl-5-quinazolin-4-ylsulfan…

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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 7.52 -8.67 2 3 0 52 267.357 2 ↓

Analogs

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Popular Name: 5-nitro-2-quinazolin-4-ylsulfanyl-aniline 5-nitro-2-quinazolin-4-ylsulfany…

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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) 3.16 7.53 -9.99 2 6 0 98 298.327 3 ↓

Analogs

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Popular Name: (5-chloro-2-quinazolin-4-ylsulfanyl-phenyl)methanamine (5-chloro-2-quinazolin-4-ylsulfa…

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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) 3.58 7.22 -46.8 3 3 1 53 302.81 3 ↓
Hi High (pH 8-9.5) 3.58 6.79 -7.24 2 3 0 52 301.802 3 ↓

Analogs

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Popular Name: 5-chloro-2-quinazolin-4-ylsulfanyl-benzonitrile 5-chloro-2-quinazolin-4-ylsulfan…

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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) 4.15 9.65 -10.45 0 3 0 50 297.77 2 ↓

Analogs

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Popular Name: 5-chloro-2-quinazolin-4-ylsulfanyl-benzamidine 5-chloro-2-quinazolin-4-ylsulfan…

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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) 2.78 6.83 -33.78 4 4 1 77 315.809 3 ↓

Analogs

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Popular Name: (2-chloro-6-quinazolin-4-ylsulfanyl-phenyl)methanamine (2-chloro-6-quinazolin-4-ylsulfa…

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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) 3.56 7.08 -41.62 3 3 1 53 302.81 3 ↓
Hi High (pH 8-9.5) 3.56 6.68 -8.03 2 3 0 52 301.802 3 ↓

Analogs

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Popular Name: 2-chloro-6-quinazolin-4-ylsulfanyl-benzamidine 2-chloro-6-quinazolin-4-ylsulfan…

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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) 2.76 6.49 -30.99 4 4 1 77 315.809 3 ↓

Analogs

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Popular Name: 2-chloro-6-quinazolin-4-ylsulfanyl-benzonitrile 2-chloro-6-quinazolin-4-ylsulfan…

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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) 4.13 9.55 -13.09 0 3 0 50 297.77 2 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)quinazoline 4-(4-methoxyphenyl)sulfanyl-2-(t…

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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 8.57 -10.17 0 3 0 35 336.338 4 ↓

Analogs

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Popular Name: (4-chloro-2-quinazolin-4-ylsulfanyl-phenyl)methanamine (4-chloro-2-quinazolin-4-ylsulfa…

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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) 3.58 7.2 -48.79 3 3 1 53 302.81 3 ↓
Hi High (pH 8-9.5) 3.58 6.77 -7.79 2 3 0 52 301.802 3 ↓

Analogs

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Popular Name: 4-chloro-2-quinazolin-4-ylsulfanyl-benzoic 4-chloro-2-quinazolin-4-ylsulfan…

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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) 3.97 9.71 -50.3 0 4 -1 66 315.761 3 ↓

Analogs

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Popular Name: 4-chloro-2-quinazolin-4-ylsulfanyl-benzamidine 4-chloro-2-quinazolin-4-ylsulfan…

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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) 2.78 6.82 -35.43 4 4 1 77 315.809 3 ↓

Analogs

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Popular Name: 4-chloro-2-quinazolin-4-ylsulfanyl-benzonitrile 4-chloro-2-quinazolin-4-ylsulfan…

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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) 4.15 9.65 -10.45 0 3 0 50 297.77 2 ↓

Analogs

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Popular Name: (3-chloro-4-quinazolin-4-ylsulfanyl-phenyl)methanamine (3-chloro-4-quinazolin-4-ylsulfa…

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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) 3.58 7.35 -55.8 3 3 1 53 302.81 3 ↓
Hi High (pH 8-9.5) 3.58 6.94 -8.35 2 3 0 52 301.802 3 ↓

Analogs

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Popular Name: 3-chloro-4-quinazolin-4-ylsulfanyl-benzonitrile 3-chloro-4-quinazolin-4-ylsulfan…

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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) 4.15 9.7 -9.89 0 3 0 50 297.77 2 ↓

Analogs

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Popular Name: 3-chloro-4-quinazolin-4-ylsulfanyl-benzamidine 3-chloro-4-quinazolin-4-ylsulfan…

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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) 2.78 7.19 -42.16 4 4 1 77 315.809 3 ↓

Analogs

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Popular Name: 3-chloro-4-quinazolin-4-ylsulfanyl-benzoic 3-chloro-4-quinazolin-4-ylsulfan…

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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) 4.31 9.84 -48.95 0 4 -1 66 315.761 3 ↓

Analogs

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Popular Name: 4-amino-2-quinazolin-4-ylsulfanyl-benzoic 4-amino-2-quinazolin-4-ylsulfany…

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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) 2.37 7.08 -58.27 2 5 -1 92 296.331 3 ↓

Analogs

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Popular Name: 4-quinazolin-4-ylsulfanylbenzoic 4-quinazolin-4-ylsulfanylbenzoic

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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) 3.70 9.41 -51.31 0 4 -1 66 281.316 3 ↓

Analogs

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Popular Name: 5-chloro-2-quinazolin-4-ylsulfanyl-aniline 5-chloro-2-quinazolin-4-ylsulfan…

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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 7.33 -7.34 2 3 0 52 287.775 2 ↓

Analogs

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Popular Name: 3-chloro-4-quinazolin-4-ylsulfanyl-aniline 3-chloro-4-quinazolin-4-ylsulfan…

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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) 3.47 7.19 -9.37 2 3 0 52 287.775 2 ↓

Analogs

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Popular Name: 4-quinazolin-4-ylsulfanylaniline 4-quinazolin-4-ylsulfanylaniline

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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) 2.87 6.74 -8.65 2 3 0 52 253.33 2 ↓

Analogs

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Popular Name: 3-chloro-2-quinazolin-4-ylsulfanyl-aniline 3-chloro-2-quinazolin-4-ylsulfan…

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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 7.26 -9.13 2 3 0 52 287.775 2 ↓

Analogs

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Popular Name: 2-quinazolin-4-ylsulfanylaniline 2-quinazolin-4-ylsulfanylaniline

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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) 3.23 6.81 -7.98 2 3 0 52 253.33 2 ↓

Analogs

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Popular Name: 5-fluoro-2-quinazolin-4-ylsulfanyl-aniline 5-fluoro-2-quinazolin-4-ylsulfan…

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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) 3.37 6.88 -7.71 2 3 0 52 271.32 2 ↓

Analogs

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Popular Name: 3-fluoro-4-quinazolin-4-ylsulfanyl-aniline 3-fluoro-4-quinazolin-4-ylsulfan…

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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) 2.96 6.78 -10.54 2 3 0 52 271.32 2 ↓

Analogs

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Popular Name: 3-methyl-4-quinazolin-4-ylsulfanyl-aniline 3-methyl-4-quinazolin-4-ylsulfan…

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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) 3.25 7.3 -8.6 2 3 0 52 267.357 2 ↓

Analogs

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Popular Name: 5-methyl-2-quinazolin-4-ylsulfanyl-aniline 5-methyl-2-quinazolin-4-ylsulfan…

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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 7.48 -8.04 2 3 0 52 267.357 2 ↓

Analogs

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Popular Name: 2-methyl-4-quinazolin-4-ylsulfanyl-aniline 2-methyl-4-quinazolin-4-ylsulfan…

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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 7.51 -8.77 2 3 0 52 267.357 2 ↓

Analogs

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Popular Name: 3-amino-4-quinazolin-4-ylsulfanyl-benzonitrile 3-amino-4-quinazolin-4-ylsulfany…

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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) 2.96 7.2 -9.56 2 4 0 76 278.34 2 ↓

Analogs

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Popular Name: 2-fluoro-6-quinazolin-4-ylsulfanyl-aniline 2-fluoro-6-quinazolin-4-ylsulfan…

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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) 3.34 6.9 -8.27 2 3 0 52 271.32 2 ↓

Analogs

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Popular Name: 3-quinazolin-4-ylsulfanylaniline 3-quinazolin-4-ylsulfanylaniline

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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) 2.84 6.74 -8.63 2 3 0 52 253.33 2 ↓

Analogs

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Popular Name: 3-fluoro-5-quinazolin-4-ylsulfanyl-aniline 3-fluoro-5-quinazolin-4-ylsulfan…

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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) 2.96 6.81 -8.87 2 3 0 52 271.32 2 ↓

Analogs

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Popular Name: 4-quinazolin-4-ylsulfanylbenzonitrile 4-quinazolin-4-ylsulfanylbenzoni…

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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) 3.55 9.26 -9.6 0 3 0 50 263.325 2 ↓

Analogs

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Popular Name: 2-quinazolin-4-ylsulfanylbenzonitrile 2-quinazolin-4-ylsulfanylbenzoni…

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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) 3.50 9.14 -12.49 0 3 0 50 263.325 2 ↓

Analogs

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Popular Name: 3-fluoro-4-quinazolin-4-ylsulfanyl-benzonitrile 3-fluoro-4-quinazolin-4-ylsulfan…

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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 9.3 -10.75 0 3 0 50 281.315 2 ↓

Analogs

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Popular Name: N'-hydroxy-4-quinazolin-4-ylsulfanyl-benzamidine N'-hydroxy-4-quinazolin-4-ylsulf…

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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) 2.11 5.75 -10.96 3 5 0 84 296.355 3 ↓

Analogs

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Popular Name: N'-hydroxy-2-quinazolin-4-ylsulfanyl-benzamidine N'-hydroxy-2-quinazolin-4-ylsulf…

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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) 2.06 5.95 -12.26 3 5 0 84 296.355 3 ↓

Analogs

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Popular Name: 4-quinazolin-4-ylsulfanylbenzamidine 4-quinazolin-4-ylsulfanylbenzami…

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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) 2.18 6.74 -39.65 4 4 1 77 281.364 3 ↓

Analogs

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Popular Name: 2-quinazolin-4-ylsulfanylbenzamidine 2-quinazolin-4-ylsulfanylbenzami…

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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) 2.13 6.31 -32.56 4 4 1 77 281.364 3 ↓

Analogs

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Popular Name: 3-fluoro-4-quinazolin-4-ylsulfanyl-benzamidine 3-fluoro-4-quinazolin-4-ylsulfan…

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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) 2.27 6.78 -43.42 4 4 1 77 299.354 3 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-quinazolin-4-ylsulfanyl-phenyl)ethanone 1-(3-fluoro-4-quinazolin-4-ylsul…

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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) 3.78 9.39 -14.66 0 3 0 43 298.342 3 ↓

Analogs

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Popular Name: 1-(5-fluoro-2-quinazolin-4-ylsulfanyl-phenyl)ethanone 1-(5-fluoro-2-quinazolin-4-ylsul…

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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) 3.78 9.29 -11.03 0 3 0 43 298.342 3 ↓

Analogs

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Popular Name: 1-(4-quinazolin-4-ylsulfanylphenyl)ethanone 1-(4-quinazolin-4-ylsulfanylphen…

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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) 3.69 9.36 -11.68 0 3 0 43 280.352 3 ↓

Analogs

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Popular Name: 1-(2-fluoro-6-quinazolin-4-ylsulfanyl-phenyl)ethanone 1-(2-fluoro-6-quinazolin-4-ylsul…

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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) 3.76 9.28 -11.94 0 3 0 43 298.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-quinazolin-4-ylsulfanylphenyl)ethanone 1-(2-quinazolin-4-ylsulfanylphen…

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Activity (Go SEA)

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 9.3 -13.28 0 3 0 43 280.352 3 ↓

Parameters Provided:

ring.id = 4690
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 = 4690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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