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Analogs

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Popular Name: 2-tert-butyl-4-(1,4-diazepan-1-ylmethyl)thiazole 2-tert-butyl-4-(1,4-diazepan-1-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) 1.92 4.44 -37.3 2 3 1 33 254.423 3 ↓

Analogs

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Popular Name: 2-[4-(1,4-diazepan-1-ylmethyl)thiazol-2-yl]-N,N-dimethyl-acetamide 2-[4-(1,4-diazepan-1-ylmethyl)th…

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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) -0.70 2.8 -42.46 2 5 1 53 283.421 4 ↓

Analogs

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Popular Name: N-methyl-N-[2-oxo-2-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]methanesulfonamide N-methyl-N-[2-oxo-2-[4-(thiazol-…

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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) -0.20 3.95 -56.25 1 7 1 75 347.486 5 ↓
Mid Mid (pH 6-8) -0.20 2.07 -25.64 0 7 0 74 346.478 5 ↓

Analogs

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Popular Name: 3-methylsulfanyl-1-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one 3-methylsulfanyl-1-[4-(thiazol-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) 1.19 7.75 -41.97 1 4 1 38 300.473 5 ↓
Mid Mid (pH 6-8) 1.19 5.86 -11.03 0 4 0 36 299.465 5 ↓

Analogs

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Popular Name: (2R)-2-methylsulfonyl-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one (2R)-2-methylsulfonyl-1-[4-[(2-m…

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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) -0.13 5.19 -57.99 1 6 1 72 346.498 4 ↓
Mid Mid (pH 6-8) -0.13 3.32 -28.53 0 6 0 71 345.49 4 ↓

Analogs

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Popular Name: (2S)-2-methylsulfonyl-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one (2S)-2-methylsulfonyl-1-[4-[(2-m…

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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) -0.13 4.93 -59.76 1 6 1 72 346.498 4 ↓
Mid Mid (pH 6-8) -0.13 3.07 -28.4 0 6 0 71 345.49 4 ↓

Analogs

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Popular Name: (3R)-1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-methoxy-butan-1-one (3R)-1-[4-[(2-ethylthiazol-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) 1.30 8.59 -43.25 1 5 1 47 326.486 6 ↓
Mid Mid (pH 6-8) 1.30 6.73 -13.2 0 5 0 46 325.478 6 ↓

Analogs

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Popular Name: (3S)-1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-methoxy-butan-1-one (3S)-1-[4-[(2-ethylthiazol-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) 1.30 8.59 -41.81 1 5 1 47 326.486 6 ↓
Mid Mid (pH 6-8) 1.30 6.73 -13.47 0 5 0 46 325.478 6 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-oxo-2-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]methanesulfonamide N-[(1S)-1-methyl-2-oxo-2-[4-(thi…

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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) -0.12 2.31 -52.41 2 7 1 84 347.486 5 ↓
Mid Mid (pH 6-8) -0.12 0.43 -18.92 1 7 0 83 346.478 5 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-oxo-2-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]methanesulfonamide N-[(1R)-1-methyl-2-oxo-2-[4-(thi…

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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) -0.12 2.23 -53.44 2 7 1 84 347.486 5 ↓
Mid Mid (pH 6-8) -0.12 0.35 -23.71 1 7 0 83 346.478 5 ↓

Analogs

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Popular Name: (2S)-2-methylsulfanyl-1-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one (2S)-2-methylsulfanyl-1-[4-(thia…

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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) 1.28 7.35 -46.52 1 4 1 38 300.473 4 ↓
Mid Mid (pH 6-8) 1.28 5.46 -14.53 0 4 0 36 299.465 4 ↓

Analogs

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Popular Name: (2R)-2-methylsulfanyl-1-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one (2R)-2-methylsulfanyl-1-[4-(thia…

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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) 1.28 7.41 -45.25 1 4 1 38 300.473 4 ↓
Mid Mid (pH 6-8) 1.28 5.52 -14.92 0 4 0 36 299.465 4 ↓

Analogs

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Popular Name: 2-ethylsulfonyl-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone 2-ethylsulfonyl-1-[4-[(2-methylt…

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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) -0.12 5.2 -60.19 1 6 1 72 346.498 5 ↓
Mid Mid (pH 6-8) -0.12 3.32 -29.13 0 6 0 71 345.49 5 ↓

Analogs

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Popular Name: 3-ethoxy-1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one 3-ethoxy-1-[4-[(2-ethylthiazol-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) 1.31 8.04 -41.73 1 5 1 47 326.486 7 ↓
Mid Mid (pH 6-8) 1.31 6.19 -11.33 0 5 0 46 325.478 7 ↓

Analogs

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Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-isopropoxy-ethanone 1-[4-[(2-ethylthiazol-4-yl)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) 1.40 9.09 -45.48 1 5 1 47 326.486 6 ↓
Mid Mid (pH 6-8) 1.40 7.24 -15.46 0 5 0 46 325.478 6 ↓

Analogs

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Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-4-methoxy-butan-1-one 1-[4-[(2-ethylthiazol-4-yl)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) 1.21 7.84 -44.85 1 5 1 47 326.486 7 ↓
Mid Mid (pH 6-8) 1.21 5.99 -14.81 0 5 0 46 325.478 7 ↓

Analogs

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Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-isopropoxy-propan-1-one 1-[4-[(2-ethylthiazol-4-yl)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) 1.68 8.79 -41.62 1 5 1 47 340.513 7 ↓
Mid Mid (pH 6-8) 1.68 6.93 -11.26 0 5 0 46 339.505 7 ↓

Analogs

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Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-propoxy-ethanone 1-[4-[(2-ethylthiazol-4-yl)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) 1.54 9.14 -45.63 1 5 1 47 326.486 7 ↓
Mid Mid (pH 6-8) 1.54 7.26 -15.45 0 5 0 46 325.478 7 ↓

Analogs

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Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methoxy-ethanone 1-[4-[(2-ethylthiazol-4-yl)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) 0.66 7.4 -45.47 1 5 1 47 298.432 5 ↓
Mid Mid (pH 6-8) 0.66 5.54 -15.52 0 5 0 46 297.424 5 ↓

Analogs

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Popular Name: (2R)-2-ethoxy-1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one (2R)-2-ethoxy-1-[4-[(2-ethylthia…

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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) 1.40 8.77 -46.24 1 5 1 47 326.486 6 ↓
Mid Mid (pH 6-8) 1.40 6.91 -15.6 0 5 0 46 325.478 6 ↓

Analogs

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Popular Name: (2S)-2-ethoxy-1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one (2S)-2-ethoxy-1-[4-[(2-ethylthia…

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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) 1.40 8.76 -46.52 1 5 1 47 326.486 6 ↓
Mid Mid (pH 6-8) 1.40 6.9 -15.36 0 5 0 46 325.478 6 ↓

Analogs

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Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-methoxy-propan-1-one 1-[4-[(2-ethylthiazol-4-yl)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) 0.94 7.08 -41.86 1 5 1 47 312.459 6 ↓
Mid Mid (pH 6-8) 0.94 5.22 -11.48 0 5 0 46 311.451 6 ↓

Analogs

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Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one 1-[4-[(2-ethylthiazol-4-yl)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) 1.48 9.24 -41.43 1 4 1 38 328.527 6 ↓
Mid Mid (pH 6-8) 1.48 7.39 -10.93 0 4 0 36 327.519 6 ↓

Analogs

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Popular Name: 4-(1,4-diazepan-1-ylmethyl)-2-isopropyl-thiazole 4-(1,4-diazepan-1-ylmethyl)-2-is…

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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) 1.25 3.95 -37.68 2 3 1 33 240.396 3 ↓

Parameters Provided:

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