UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-4-pyridyl]methanamine [2-(1,3,4,5-tetrahydro-2-benzaze…

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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) 2.19 7.15 -49.89 3 3 1 44 254.357 2 ↓
Hi High (pH 8-9.5) 2.19 7.11 -28.94 3 3 1 43 254.357 2 ↓
Hi High (pH 8-9.5) 2.19 6.75 -5.99 2 3 0 42 253.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanamine [6-(1,3,4,5-tetrahydro-2-benzaze…

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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) 2.24 7.13 -46.16 3 3 1 44 254.357 2 ↓
Hi High (pH 8-9.5) 2.24 6.73 -6.18 2 3 0 42 253.349 2 ↓
Mid Mid (pH 6-8) 2.24 7.5 -103.22 4 3 2 45 255.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,6-dimethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanamine [4,6-dimethyl-2-(1,3,4,5-tetrahy…

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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) 3.00 8.94 -103.34 4 3 2 45 283.419 2 ↓
Hi High (pH 8-9.5) 3.00 8.56 -23.15 3 3 1 43 282.411 2 ↓
Hi High (pH 8-9.5) 3.00 8.48 -52.58 3 3 1 44 282.411 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanamine [6-methyl-2-(1,3,4,5-tetrahydro-…

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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) 2.24 8.3 -105.02 4 3 2 45 269.392 2 ↓
Hi High (pH 8-9.5) 2.24 7.44 -5.91 2 3 0 42 267.376 2 ↓
Hi High (pH 8-9.5) 2.24 8 -24.17 3 3 1 43 268.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridin-3-amine 6-(1,3,4,5-tetrahydro-2-benzazep…

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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 7.36 -27.19 3 3 1 43 240.33 1 ↓
Mid Mid (pH 6-8) 2.70 7 -6.33 2 3 0 42 239.322 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridin-3-amine 5-bromo-2-(1,3,4,5-tetrahydro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 7.87 -5.54 2 3 0 42 318.218 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carboxamide 5-amino-2-(1,3,4,5-tetrahydro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 4.36 -10.84 4 5 0 85 282.347 2 ↓
Lo Low (pH 4.5-6) 1.45 4.81 -32.48 5 5 1 86 283.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridin-4-amine 2-(1,3,4,5-tetrahydro-2-benzazep…

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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 7.36 -28.24 3 3 1 43 240.33 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carbonitrile 5-amino-2-(1,3,4,5-tetrahydro-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.39 7.46 -7.41 2 4 0 66 264.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridin-3-amine 2-methoxy-6-(1,3,4,5-tetrahydro-…

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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 5.73 -6.59 2 4 0 51 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridin-3-amine 2-ethoxy-6-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 6.68 -6.5 2 4 0 51 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridin-3-amine 5-methyl-6-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 8.38 -25 3 3 1 43 254.357 1 ↓
Mid Mid (pH 6-8) 3.08 7.91 -6.48 2 3 0 42 253.349 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carboxamidine N'-hydroxy-6-(1,3,4,5-tetrahydro…

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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) 1.37 5.8 -9.09 3 5 0 75 282.347 2 ↓
Lo Low (pH 4.5-6) 1.37 6.15 -34.16 4 5 1 76 283.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carboxamidine 6-(1,3,4,5-tetrahydro-2-benzazep…

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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) 1.44 6.99 -34.19 4 4 1 68 267.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-4-carboxamidine 2-(1,3,4,5-tetrahydro-2-benzazep…

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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) 1.39 7.38 -95.76 5 4 2 69 268.364 2 ↓
Hi High (pH 8-9.5) 1.39 7.02 -37.64 4 4 1 68 267.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carboxamidine 2-(1,3,4,5-tetrahydro-2-benzazep…

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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) 1.39 6.96 -38.13 4 4 1 68 267.356 2 ↓
Hi High (pH 8-9.5) 1.39 7.88 -7.28 3 4 0 66 266.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carboxamidine 6-methyl-2-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 7.55 -38.22 4 4 1 68 281.383 2 ↓
Mid Mid (pH 6-8) 1.44 8.51 -7.41 3 4 0 66 280.375 2 ↓
Lo Low (pH 4.5-6) 1.44 7.97 -93.33 5 4 2 69 282.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanol [6-(1,3,4,5-tetrahydro-2-benzaze…

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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) 2.46 6.89 -27.72 2 3 1 38 255.341 2 ↓
Mid Mid (pH 6-8) 2.46 6.56 -7.31 1 3 0 36 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-4-pyridyl]methanol [2-(1,3,4,5-tetrahydro-2-benzaze…

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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) 2.34 6.79 -30.26 2 3 1 38 255.341 2 ↓
Mid Mid (pH 6-8) 2.34 6.43 -8.08 1 3 0 36 254.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanol [3-chloro-6-(1,3,4,5-tetrahydro-…

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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 6.79 -8.12 1 3 0 36 288.778 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,6-dimethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanol [4,6-dimethyl-2-(1,3,4,5-tetrahy…

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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 8.34 -24.61 2 3 1 38 283.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanol [5-chloro-6-(1,3,4,5-tetrahydro-…

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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) 3.00 7 -6.88 1 3 0 36 288.778 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanol [5-bromo-2-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 7.28 -6.4 1 3 0 36 333.229 2 ↓

Analogs

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Popular Name: 2-[6-(chloromethyl)-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[6-(chloromethyl)-2-pyridyl]-1…

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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 10.31 -6.57 0 2 0 16 272.779 2 ↓
Lo Low (pH 4.5-6) 3.70 10.64 -29.16 1 2 1 17 273.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(chloromethyl)-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[4-(chloromethyl)-2-pyridyl]-1…

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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 10.4 -6.28 0 2 0 16 272.779 2 ↓
Mid Mid (pH 6-8) 3.58 10.76 -31.16 1 2 1 17 273.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-chloro-6-(chloromethyl)-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[5-chloro-6-(chloromethyl)-2-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) 4.71 10.74 -5.87 0 2 0 16 307.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(chloromethyl)-4,6-dimethyl-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[3-(chloromethyl)-4,6-dimethyl…

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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) 4.39 12.19 -25.36 1 2 1 17 301.841 2 ↓
Hi High (pH 8-9.5) 4.39 11.74 -6.06 0 2 0 16 300.833 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(chloromethyl)-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[5-(chloromethyl)-2-pyridyl]-1…

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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) 3.63 10.38 -6.41 0 2 0 16 272.779 2 ↓
Mid Mid (pH 6-8) 3.63 10.74 -30.98 1 2 1 17 273.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-chloro-5-(chloromethyl)-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[3-chloro-5-(chloromethyl)-2-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) 4.24 10.96 -5.51 0 2 0 16 307.224 2 ↓

Analogs

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Popular Name: 2-[5-bromo-3-(chloromethyl)-2-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[5-bromo-3-(chloromethyl)-2-py…

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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 11.24 -4.9 0 2 0 16 351.675 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-4-pyridyl]methanamine N-methyl-1-[2-(1,3,4,5-tetrahydr…

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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) 2.56 9.04 -45.19 2 3 1 33 268.384 3 ↓
Hi High (pH 8-9.5) 2.56 7.6 -5.32 1 3 0 28 267.376 3 ↓
Hi High (pH 8-9.5) 2.56 7.94 -29.23 2 3 1 29 268.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-4-pyridyl]methyl]ethanamine N-[[2-(1,3,4,5-tetrahydro-2-benz…

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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 9.9 -44.32 2 3 1 33 282.411 4 ↓
Hi High (pH 8-9.5) 2.94 8.53 -5.16 1 3 0 28 281.403 4 ↓
Hi High (pH 8-9.5) 2.94 8.87 -29.17 2 3 1 29 282.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methyl]ethanamine N-[[6-(1,3,4,5-tetrahydro-2-benz…

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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) 3.06 9.85 -37.07 2 3 1 33 282.411 4 ↓
Hi High (pH 8-9.5) 3.06 8.47 -5.06 1 3 0 28 281.403 4 ↓
Mid Mid (pH 6-8) 3.06 8.77 -25.65 2 3 1 29 282.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanamine N-methyl-1-[6-(1,3,4,5-tetrahydr…

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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) 2.68 8.99 -38 2 3 1 33 268.384 3 ↓
Hi High (pH 8-9.5) 2.68 7.53 -5.28 1 3 0 28 267.376 3 ↓
Mid Mid (pH 6-8) 2.68 7.85 -25.64 2 3 1 29 268.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanamine [6-(1,3,4,5-tetrahydro-2-benzaze…

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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 7.09 -42.4 3 3 1 44 254.357 2 ↓
Hi High (pH 8-9.5) 2.31 6.69 -5.66 2 3 0 42 253.349 2 ↓
Hi High (pH 8-9.5) 2.31 7.01 -26.29 3 3 1 43 254.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanamine [3-chloro-6-(1,3,4,5-tetrahydro-…

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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) 3.32 7.49 -38.7 3 3 1 44 288.802 2 ↓
Hi High (pH 8-9.5) 3.32 7.09 -5.97 2 3 0 42 287.794 2 ↓

Analogs

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Popular Name: [5-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanamine [5-chloro-6-(1,3,4,5-tetrahydro-…

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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) 2.85 7.71 -50.71 3 3 1 44 288.802 2 ↓
Hi High (pH 8-9.5) 2.85 7.31 -4.89 2 3 0 42 287.794 2 ↓

Analogs

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Popular Name: [5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanamine [5-bromo-2-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 7.84 -53.78 3 3 1 44 333.253 2 ↓
Hi High (pH 8-9.5) 3.14 7.42 -4.86 2 3 0 42 332.245 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]methanamine N-methyl-1-[2-(1,3,4,5-tetrahydr…

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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) 2.56 9.13 -45.7 2 3 1 33 268.384 3 ↓
Hi High (pH 8-9.5) 2.56 8.12 -5.28 1 3 0 28 267.376 3 ↓
Mid Mid (pH 6-8) 2.56 9.6 -100.26 3 3 2 34 269.392 3 ↓

Analogs

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Popular Name: 1-[3-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]-N-methyl-methanamine 1-[3-chloro-6-(1,3,4,5-tetrahydr…

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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 9.38 -33.98 2 3 1 33 302.829 3 ↓
Hi High (pH 8-9.5) 3.69 7.94 -5.42 1 3 0 28 301.821 3 ↓

Analogs

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Popular Name: 1-[5-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]-N-methyl-methanamine 1-[5-chloro-6-(1,3,4,5-tetrahydr…

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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 9.6 -45 2 3 1 33 302.829 3 ↓
Hi High (pH 8-9.5) 3.22 8.16 -4.63 1 3 0 28 301.821 3 ↓

Analogs

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Popular Name: 1-[5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridyl]-N-methyl-methanamine 1-[5-bromo-2-(1,3,4,5-tetrahydro…

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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) 3.52 9.74 -47.65 2 3 1 33 347.28 3 ↓
Hi High (pH 8-9.5) 3.52 8.71 -4.12 1 3 0 28 346.272 3 ↓

Analogs

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Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-4-carbonitrile 2-(1,3,4,5-tetrahydro-2-benzazep…

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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 9.52 -6.59 0 3 0 40 249.317 1 ↓

Analogs

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Popular Name: 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carbonitrile 6-(1,3,4,5-tetrahydro-2-benzazep…

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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) 2.81 9.53 -7.69 0 3 0 40 249.317 1 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carbonitrile 4,6-dimethyl-2-(1,3,4,5-tetrahyd…

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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) 3.57 10.75 -7.19 0 3 0 40 277.371 1 ↓

Analogs

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Popular Name: 6-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carbonitrile 6-methyl-2-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 10.23 -7.35 0 3 0 40 263.344 1 ↓

Analogs

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Popular Name: 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carbothioamide 6-(1,3,4,5-tetrahydro-2-benzazep…

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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) 2.85 8.34 -13.67 2 3 0 42 283.4 2 ↓
Lo Low (pH 4.5-6) 2.85 8.69 -45.71 3 3 1 43 284.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-4-carbothioamide 2-(1,3,4,5-tetrahydro-2-benzazep…

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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 8.35 -13.34 2 3 0 42 283.4 2 ↓
Mid Mid (pH 6-8) 2.80 8.71 -43.76 3 3 1 43 284.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carbothioamide 6-methyl-2-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 9.07 -12.06 2 3 0 42 297.427 2 ↓
Mid Mid (pH 6-8) 2.85 9.5 -35.09 3 3 1 43 298.435 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-3-carboxylic 5-chloro-6-(1,3,4,5-tetrahydro-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 10.24 -43.42 0 4 -1 56 301.753 2 ↓
Lo Low (pH 4.5-6) 3.23 10.72 -31.42 1 4 0 58 302.761 2 ↓

Parameters Provided:

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