UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]quinazolin-4-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 1.90 7.36 -53.6 4 4 1 65 279.367 5 ↓
Lo Low (pH 4.5-6) 1.90 7.82 -81.32 5 4 2 67 280.375 5 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]quinazolin-4-amine N-[(3-aminophenyl)methyl]quinazo…

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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) 1.97 6.4 -8.07 3 4 0 64 250.305 3 ↓
Lo Low (pH 4.5-6) 1.97 6.87 -28.62 4 4 1 65 251.313 3 ↓

Analogs

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Popular Name: N-benzyl-2-(trifluoromethyl)quinazolin-4-amine N-benzyl-2-(trifluoromethyl)quin…

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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 0.73 -8.86 1 3 0 38 303.287 4 ↓

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]quinazolin-4-amine N-[(2-methoxyphenyl)methyl]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) 2.93 -0.96 -8.97 1 4 0 47 265.316 4 ↓

Analogs

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Popular Name: N,N-dimethyl-N'-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]butanediamide N,N-dimethyl-N'-[[4-[[3-(trifluo…

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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) 2.22 -1.62 -15.15 2 7 0 87 459.472 9 ↓

Analogs

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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) 3.37 -0.19 -19.52 2 7 0 93 460.456 11 ↓

Analogs

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Popular Name: (1S)-1-[4-[(quinazolin-4-ylamino)methyl]phenyl]ethanol (1S)-1-[4-[(quinazolin-4-ylamino…

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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) 2.48 6.82 -8.94 2 4 0 58 279.343 4 ↓
Lo Low (pH 4.5-6) 2.48 7.19 -30.33 3 4 1 59 280.351 4 ↓

Analogs

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Popular Name: (1R)-1-[4-[(quinazolin-4-ylamino)methyl]phenyl]ethanol (1R)-1-[4-[(quinazolin-4-ylamino…

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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) 2.48 6.79 -9.17 2 4 0 58 279.343 4 ↓
Lo Low (pH 4.5-6) 2.48 7.15 -30.59 3 4 1 59 280.351 4 ↓

Analogs

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Popular Name: 7-[4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-7-methoxy-quinazolin-6-yl]oxyheptanehydroxamic 7-[4-[[(1R)-1-(4-fluorophenyl)et…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGFR-3-E Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic Eukaryotes 126 0.29 Binding ≤ 10μM
ERBB2-2-E Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic Eukaryotes 175 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 125.6 0.29 Binding ≤ 1μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 175 0.29 Binding ≤ 1μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 125.6 0.29 Binding ≤ 10μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 175 0.29 Binding ≤ 10μM

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) 4.11 9.85 -21.14 3 8 0 106 456.518 12 ↓
Lo Low (pH 4.5-6) 4.11 10.31 -47.21 4 8 1 107 457.526 12 ↓

Analogs

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Popular Name: 7-[4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-7-methoxy-quinazolin-6-yl]oxyheptanehydroxamic 7-[4-[[(1R)-1-(4-chlorophenyl)et…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGFR-3-E Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic Eukaryotes 614 0.26 Binding ≤ 10μM
ERBB2-2-E Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic Eukaryotes 557 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 614 0.26 Binding ≤ 1μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 556.9 0.27 Binding ≤ 1μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 614 0.26 Binding ≤ 10μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 556.9 0.27 Binding ≤ 10μM

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) 4.62 10.3 -20.5 3 8 0 106 472.973 12 ↓
Lo Low (pH 4.5-6) 4.62 10.77 -46.28 4 8 1 107 473.981 12 ↓

Analogs

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Popular Name: 6,7-diethoxy-N-[(4-fluorophenyl)methyl]quinazolin-4-amine 6,7-diethoxy-N-[(4-fluorophenyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGFR-3-E Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic Eukaryotes 17 0.44 Binding ≤ 10μM
EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.46 Functional ≤ 10μM
ERBB2-2-E Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic Eukaryotes 231 0.37 Functional ≤ 10μM
Z100492-1-O MCF10 (Normal Breast Epithelial Cells) (cluster #1 Of 1), Other Other 188 0.38 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 1433 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 17 0.44 Binding ≤ 1μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 17 0.44 Binding ≤ 10μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 188 0.38 Functional ≤ 10μM
Z100492 Z100492 MCF10 (Normal Breast Epithelial Cells) 188 0.38 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 1433 0.33 Functional ≤ 10μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 231 0.37 Functional ≤ 10μM

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) 3.46 9.67 -9.34 1 5 0 56 341.386 7 ↓

Analogs

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Popular Name: N-(4-chlorobenzyl)-6,7-dimethoxy-4-quinazolinamine N-(4-chlorobenzyl)-6,7-dimethoxy…

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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) 3.22 8.29 -9.15 1 5 0 56 329.787 5 ↓
Lo Low (pH 4.5-6) 3.22 8.76 -34.89 2 5 1 58 330.795 5 ↓

Analogs

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Popular Name: N-(2,4-dichlorobenzyl)-6,7-dimethoxy-4-quinazolinamine N-(2,4-dichlorobenzyl)-6,7-dimet…

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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) 3.82 -0.95 -9.17 1 5 0 56 364.232 5 ↓

Analogs

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Popular Name: N-benzyl-6,7-dimethoxy-4-quinazolinamine N-benzyl-6,7-dimethoxy-4-quinazo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGFR-3-E Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic Eukaryotes 4 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 10 0.51 Binding ≤ 1μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 10 0.51 Binding ≤ 10μM

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) 2.54 7.77 -8.85 1 5 0 56 295.342 5 ↓
Lo Low (pH 4.5-6) 2.54 8.24 -32.45 2 5 1 58 296.35 5 ↓

Analogs

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Popular Name: 6,7-dimethoxy-N-(3-methoxybenzyl)-4-quinazolinamine 6,7-dimethoxy-N-(3-methoxybenzyl…

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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) 2.57 7.06 -10.3 1 6 0 66 325.368 6 ↓
Lo Low (pH 4.5-6) 2.57 7.53 -33.84 2 6 1 67 326.376 6 ↓

Analogs

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Popular Name: N-(4-fluorobenzyl)-6,7-dimethoxy-4-quinazolinamine N-(4-fluorobenzyl)-6,7-dimethoxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGFR-3-E Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic Eukaryotes 48 0.45 Binding ≤ 10μM
EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 2), Eukaryotic Eukaryotes 489 0.38 Functional ≤ 10μM
Z100492-1-O MCF10 (Normal Breast Epithelial Cells) (cluster #1 Of 1), Other Other 489 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 47.7 0.45 Binding ≤ 1μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 47.7 0.45 Binding ≤ 10μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 10.9 0.48 Functional ≤ 10μM
Z100492 Z100492 MCF10 (Normal Breast Epithelial Cells) 489 0.38 Functional ≤ 10μM

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) 2.70 7.84 -9.82 1 5 0 56 313.332 5 ↓
Lo Low (pH 4.5-6) 2.70 8.31 -35.71 2 5 1 58 314.34 5 ↓

Analogs

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Popular Name: 6,7-dimethoxy-N-[2-(trifluoromethyl)benzyl]-4-quinazolinamine 6,7-dimethoxy-N-[2-(trifluoromet…

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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) 3.39 1.81 -10.76 1 5 0 56 363.339 6 ↓

Analogs

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Popular Name: N-(2-fluorobenzyl)-6,7-dimethoxy-4-quinazolinamine N-(2-fluorobenzyl)-6,7-dimethoxy…

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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) 2.66 7.8 -10.27 1 5 0 56 313.332 5 ↓
Lo Low (pH 4.5-6) 2.66 8.27 -32.58 2 5 1 58 314.34 5 ↓

Analogs

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Popular Name: 6,7-dimethoxy-N-(2-methylbenzyl)-4-quinazolinamine 6,7-dimethoxy-N-(2-methylbenzyl)…

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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 8.49 -8.7 1 5 0 56 309.369 5 ↓
Lo Low (pH 4.5-6) 2.94 8.96 -32.51 2 5 1 58 310.377 5 ↓

Analogs

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Popular Name: 6,7-dimethoxy-N-(4-methylbenzyl)-4-quinazolinamine 6,7-dimethoxy-N-(4-methylbenzyl)…

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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) 2.99 8.45 -8.86 1 5 0 56 309.369 5 ↓
Lo Low (pH 4.5-6) 2.99 8.91 -32.45 2 5 1 58 310.377 5 ↓

Analogs

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Popular Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-2-phenyl-ethanol (2S)-2-[(2-chloroquinazolin-4-yl…

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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 6.01 -8.89 2 4 0 58 299.761 4 ↓

Analogs

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Popular Name: (2R)-2-[(2-chloroquinazolin-4-yl)amino]-2-phenyl-ethanol (2R)-2-[(2-chloroquinazolin-4-yl…

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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 6 -8.89 2 4 0 58 299.761 4 ↓

Analogs

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Popular Name: 2-amino-4-[[2-(dimethylaminomethyl)phenyl]methyl-methyl-amino]quinazoline-6-carboxylic 2-amino-4-[[2-(dimethylaminometh…

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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) 2.61 13.31 -80.71 4 7 1 101 366.445 6 ↓
Hi High (pH 8-9.5) 2.61 12.83 -59.66 3 7 0 100 365.437 6 ↓
Hi High (pH 8-9.5) 2.61 11.2 -49.02 3 7 0 100 365.437 6 ↓

Analogs

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Popular Name: 3-[[2-(2-aminoethyl)quinazolin-4-yl]-[(4-fluorophenyl)methyl]amino]propan-1-ol 3-[[2-(2-aminoethyl)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) 2.05 6.55 -47.63 4 5 1 77 355.437 8 ↓
Hi High (pH 8-9.5) 2.05 6.17 -10.92 3 5 0 75 354.429 8 ↓
Lo Low (pH 4.5-6) 2.05 7.13 -101.92 5 5 2 78 356.445 8 ↓

Analogs

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Popular Name: 2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine 2-(2-aminoethyl)-N-[(2,4-dimetho…

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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) 2.05 5.1 -47.38 4 6 1 84 339.419 7 ↓
Hi High (pH 8-9.5) 2.05 4.72 -10.53 3 6 0 82 338.411 7 ↓
Lo Low (pH 4.5-6) 2.05 5.66 -99.6 5 6 2 85 340.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine 2-(2-aminoethyl)-N-[(3,4-dimetho…

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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) 1.65 5.67 -49.89 4 6 1 84 339.419 7 ↓
Hi High (pH 8-9.5) 1.65 5.29 -11.39 3 6 0 82 338.411 7 ↓
Lo Low (pH 4.5-6) 1.65 6.23 -105.16 5 6 2 85 340.427 7 ↓

Analogs

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Popular Name: 4-amino-N'-(2-methoxybenzylidene)-1,2,5-oxadiazole-3-carbohydrazonamide 4-amino-N'-(2-methoxybenzylidene…

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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) 2.31 7.63 -46.99 3 5 1 66 323.42 6 ↓
Hi High (pH 8-9.5) 2.31 7.25 -10.15 2 5 0 64 322.412 6 ↓
Lo Low (pH 4.5-6) 2.31 8.19 -95.91 4 5 2 67 324.428 6 ↓

Analogs

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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) 2.35 6.6 -11.51 2 6 0 84 323.352 6 ↓

Analogs

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Popular Name: 6-Fluoro-N-(4-fluorobenzyl)quinazolin-4-amine 6-Fluoro-N-(4-fluorobenzyl)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) 2.25 8.67 -6.64 1 3 0 38 271.27 3 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-6-fluoro-quinazolin-4-amine N-[(4-chlorophenyl)methyl]-6-flu…

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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 9.12 -6.05 1 3 0 38 287.725 3 ↓

Analogs

41470985
41470985

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Popular Name: 6-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine 6-fluoro-N-[(1S)-1-(4-methoxyphe…

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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) 2.70 8.76 -7.29 1 4 0 47 297.333 4 ↓

Analogs

41470983
41470983

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Popular Name: 6-fluoro-N-[(1R)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine 6-fluoro-N-[(1R)-1-(4-methoxyphe…

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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) 2.70 8.74 -7.27 1 4 0 47 297.333 4 ↓

Analogs

13863972
13863972

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine N-[(1R)-1-(4-methoxyphenyl)ethyl…

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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) 3.53 8.68 -9.14 1 4 0 47 279.343 4 ↓
Lo Low (pH 4.5-6) 3.53 9.15 -30.8 2 4 1 48 280.351 4 ↓

Analogs

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Popular Name: N-benzyl-2-isopropyl-quinazolin-4-amine N-benzyl-2-isopropyl-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) 4.06 9.72 -7.65 1 3 0 38 277.371 4 ↓
Mid Mid (pH 6-8) 4.06 10.21 -23.28 2 3 1 39 278.379 4 ↓

Analogs

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Popular Name: N-benzyl-8-fluoro-N-methyl-quinazolin-4-amine N-benzyl-8-fluoro-N-methyl-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) 3.28 10.47 -10.48 0 3 0 29 267.307 3 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-quinazolin-4-amine N-benzyl-N-ethyl-quinazolin-4-amine

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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) 3.54 11.15 -7.97 0 3 0 29 263.344 4 ↓
Lo Low (pH 4.5-6) 3.54 11.61 -29.48 1 3 1 30 264.352 4 ↓

Analogs

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Popular Name: 2-[benzyl(quinazolin-4-yl)amino]ethanol 2-[benzyl(quinazolin-4-yl)amino]…

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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) 2.53 7.81 -9.39 1 4 0 49 279.343 5 ↓
Lo Low (pH 4.5-6) 2.53 8.28 -28.61 2 4 1 50 280.351 5 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]quinazolin-4-amine N-[(4-methylsulfanylphenyl)methy…

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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) 3.35 9.56 -8.37 1 3 0 38 281.384 4 ↓
Lo Low (pH 4.5-6) 3.35 10.02 -30.53 2 3 1 39 282.392 4 ↓

Analogs

34891247
34891247

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Popular Name: 3-[(quinazolin-4-ylamino)methyl]phenol 3-[(quinazolin-4-ylamino)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) 2.41 5.68 -9.52 2 4 0 58 251.289 3 ↓
Lo Low (pH 4.5-6) 2.41 6.15 -31.01 3 4 1 59 252.297 3 ↓

Analogs

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Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]quinazolin-4-amine N-[(4-bromo-2-chloro-phenyl)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) 4.33 9.57 -7.66 1 3 0 38 348.631 3 ↓
Lo Low (pH 4.5-6) 4.33 10.03 -29.91 2 3 1 39 349.639 3 ↓

Analogs

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Popular Name: 3-[benzyl-(7-chloro-2-ethyl-quinazolin-4-yl)amino]propanoic 3-[benzyl-(7-chloro-2-ethyl-quin…

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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) 3.99 12.9 -45.02 0 5 -1 69 368.844 7 ↓
Lo Low (pH 4.5-6) 3.99 13.44 -50.25 1 5 0 70 369.852 7 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-quinazolin-4-amine N-[[3-(aminomethyl)phenyl]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) 2.32 8.41 -43.42 3 4 1 57 279.367 4 ↓
Lo Low (pH 4.5-6) 2.32 8.87 -93.66 4 4 2 58 280.375 4 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)phenyl]methyl]quinazolin-4-amine N-[[3-(aminomethyl)phenyl]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) 2.08 6.56 -53.84 4 4 1 65 265.34 4 ↓
Lo Low (pH 4.5-6) 2.08 7.03 -86.18 5 4 2 67 266.348 4 ↓

Analogs

34568453
34568453

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Popular Name: N-[(4-nitrophenyl)methyl]quinazolin-4-amine N-[(4-nitrophenyl)methyl]quinazo…

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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) 2.88 9.25 -11.88 1 6 0 84 280.287 4 ↓
Lo Low (pH 4.5-6) 2.88 9.72 -38.47 2 6 1 85 281.295 4 ↓

Analogs

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Popular Name: N-[(3-ethoxyphenyl)methyl]quinazolin-4-amine N-[(3-ethoxyphenyl)methyl]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) 3.33 8.76 -8.81 1 4 0 47 279.343 5 ↓
Lo Low (pH 4.5-6) 3.33 9.23 -29.61 2 4 1 48 280.351 5 ↓

Analogs

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Popular Name: N-[(4-aminophenyl)methyl]quinazolin-4-amine N-[(4-aminophenyl)methyl]quinazo…

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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) 1.99 6.41 -8.23 3 4 0 64 250.305 3 ↓
Lo Low (pH 4.5-6) 1.99 6.88 -28.36 4 4 1 65 251.313 3 ↓

Analogs

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Popular Name: 4-amino-2-[(quinazolin-4-ylamino)methyl]phenol 4-amino-2-[(quinazolin-4-ylamino…

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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) 1.91 3.58 -10.09 4 5 0 84 266.304 3 ↓
Lo Low (pH 4.5-6) 1.91 4.04 -30.25 5 5 1 85 267.312 3 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]-N-ethyl-quinazolin-4-amine N-[(3-aminophenyl)methyl]-N-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) 2.59 9.02 -8.47 2 4 0 55 278.359 4 ↓
Lo Low (pH 4.5-6) 2.59 9.48 -29.99 3 4 1 56 279.367 4 ↓

Analogs

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Popular Name: N-[(4-aminophenyl)methyl]-N-ethyl-quinazolin-4-amine N-[(4-aminophenyl)methyl]-N-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) 2.61 9.03 -8.69 2 4 0 55 278.359 4 ↓
Lo Low (pH 4.5-6) 2.61 9.49 -29.55 3 4 1 56 279.367 4 ↓

Analogs

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Popular Name: N-[(2-aminophenyl)methyl]-N-ethyl-quinazolin-4-amine N-[(2-aminophenyl)methyl]-N-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) 2.97 8.99 -6.72 2 4 0 55 278.359 4 ↓
Lo Low (pH 4.5-6) 2.97 9.46 -30.31 3 4 1 56 279.367 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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