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Analogs

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Popular Name: 4-chloro-2-[(2-chloro-4-fluoro-phenyl)methyl]-5,6,7,8-tetrahydroquinazoline 4-chloro-2-[(2-chloro-4-fluoro-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) 5.04 9.62 -5.65 0 2 0 26 311.187 2 ↓

Analogs

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Popular Name: (5S)-2-[(2-chloro-4-fluoro-phenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-[(2-chloro-4-fluoro-pheny…

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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) 1.14 6.56 -51.96 3 3 1 53 292.765 2 ↓
Mid Mid (pH 6-8) 1.14 6.23 -5.3 2 3 0 52 291.757 2 ↓

Analogs

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Popular Name: (5R)-2-[(2-chloro-4-fluoro-phenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-[(2-chloro-4-fluoro-pheny…

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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) 1.14 6.56 -52.54 3 3 1 53 292.765 2 ↓
Mid Mid (pH 6-8) 1.14 6.23 -6 2 3 0 52 291.757 2 ↓

Analogs

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Popular Name: (5R)-2-[(2-chloro-4-fluoro-phenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-[(2-chloro-4-fluoro-pheny…

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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) 2.49 8.2 -46.01 2 3 1 42 306.792 3 ↓
Hi High (pH 8-9.5) 2.49 6.88 -5.27 1 3 0 38 305.784 3 ↓

Analogs

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Popular Name: (5S)-2-[(2-chloro-4-fluoro-phenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-[(2-chloro-4-fluoro-pheny…

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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) 2.49 8.21 -46.4 2 3 1 42 306.792 3 ↓
Hi High (pH 8-9.5) 2.49 7.14 -4.79 1 3 0 38 305.784 3 ↓

Analogs

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Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine 2-[(2-chloro-4-fluoro-phenyl)met…

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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) 3.85 8.14 -6.37 2 3 0 52 291.757 2 ↓
Mid Mid (pH 6-8) 3.85 8.31 -28.46 3 3 1 53 292.765 2 ↓

Analogs

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Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine 2-[(2-chloro-4-fluoro-phenyl)met…

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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 9.21 -6.37 1 3 0 38 305.784 3 ↓
Mid Mid (pH 6-8) 4.22 9.81 -31.04 2 3 1 39 306.792 3 ↓

Analogs

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Popular Name: [2-[(2-chloro-4-fluoro-phenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine [2-[(2-chloro-4-fluoro-phenyl)me…

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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 7.98 -7 3 4 0 64 306.772 3 ↓

Analogs

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Popular Name: 4-chloro-2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazoline 4-chloro-2-(1-methyl-1-phenyl-et…

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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) 4.70 9.97 -5.17 0 2 0 26 286.806 2 ↓

Analogs

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Popular Name: (5S)-2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(1-methyl-1-phenyl-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) 0.80 6.92 -50.18 3 3 1 53 268.384 2 ↓
Mid Mid (pH 6-8) 0.80 6.6 -5.09 2 3 0 52 267.376 2 ↓

Analogs

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Popular Name: (5R)-2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(1-methyl-1-phenyl-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) 0.80 6.92 -50.43 3 3 1 53 268.384 2 ↓
Mid Mid (pH 6-8) 0.80 6.59 -6.01 2 3 0 52 267.376 2 ↓

Analogs

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Popular Name: (5S)-N-methyl-2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-N-methyl-2-(1-methyl-1-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) 2.15 8.74 -44.08 2 3 1 42 282.411 3 ↓
Hi High (pH 8-9.5) 2.15 7.34 -5.14 1 3 0 38 281.403 3 ↓

Analogs

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Popular Name: (5R)-N-methyl-2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-N-methyl-2-(1-methyl-1-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) 2.15 8.73 -44.28 2 3 1 42 282.411 3 ↓
Hi High (pH 8-9.5) 2.15 7.63 -5.11 1 3 0 38 281.403 3 ↓

Analogs

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Popular Name: 2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(1-methyl-1-phenyl-ethyl)-5,6,…

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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 8.81 -26.21 3 3 1 53 268.384 2 ↓
Mid Mid (pH 6-8) 3.50 8.5 -6.32 2 3 0 52 267.376 2 ↓

Analogs

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Popular Name: N-methyl-2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-methyl-2-(1-methyl-1-phenyl-et…

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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 9.99 -25.32 2 3 1 39 282.411 3 ↓
Mid Mid (pH 6-8) 3.88 9.67 -6.44 1 3 0 38 281.403 3 ↓

Analogs

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Popular Name: [2-(1-methyl-1-phenyl-ethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine [2-(1-methyl-1-phenyl-ethyl)-5,6…

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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) 3.26 8.34 -6.95 3 4 0 64 282.391 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(3,5-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline 4-chloro-2-[(3,5-difluorophenyl)…

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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) 4.53 9.03 -5.07 0 2 0 26 294.732 2 ↓

Parameters Provided:

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