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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]chroman-4-amine (4R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 1.07 5.55 -47.31 3 4 1 55 258.345 3 ↓
Mid Mid (pH 6-8) 1.07 4.3 -8.47 2 4 0 50 257.337 3 ↓

Analogs

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Popular Name: (4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]chroman-4-amine (4S)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 1.07 5.55 -46.75 3 4 1 55 258.345 3 ↓
Mid Mid (pH 6-8) 1.07 4.57 -7.77 2 4 0 50 257.337 3 ↓

Analogs

36995203
36995203
36995204
36995204

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Popular Name: (4R)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]chroman-4-amine (4R)-N-[(3-methyl-1H-pyrazol-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) 0.85 5.06 -47.45 3 4 1 55 244.318 3 ↓
Hi High (pH 8-9.5) 0.85 3.82 -8.22 2 4 0 50 243.31 3 ↓

Analogs

36995203
36995203
36995204
36995204

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Popular Name: (4S)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]chroman-4-amine (4S)-N-[(3-methyl-1H-pyrazol-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) 0.85 5.06 -47.81 3 4 1 55 244.318 3 ↓
Hi High (pH 8-9.5) 0.85 4.09 -7.7 2 4 0 50 243.31 3 ↓

Analogs

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Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[[(4S)-8-methylchroman-4-yl]amino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-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) 2.60 8.7 -27.72 2 5 1 44 343.495 5 ↓
Hi High (pH 8-9.5) 2.60 8.56 -6.87 1 5 0 42 342.487 5 ↓
Mid Mid (pH 6-8) 2.60 9.79 -43.08 2 5 1 47 343.495 5 ↓

Analogs

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Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[[(4R)-8-methylchroman-4-yl]amino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-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) 2.60 8.94 -27.75 2 5 1 44 343.495 5 ↓
Hi High (pH 8-9.5) 2.60 8.8 -6.72 1 5 0 42 342.487 5 ↓
Mid Mid (pH 6-8) 2.60 9.79 -43.06 2 5 1 47 343.495 5 ↓

Analogs

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Popular Name: 4-[[[(4R)-8-fluorochroman-4-yl]amino]methyl]-5-isopropyl-N,N,2-trimethyl-pyrazol-3-amine 4-[[[(4R)-8-fluorochroman-4-yl]a…

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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 8.05 -32.58 2 5 1 44 347.458 5 ↓
Hi High (pH 8-9.5) 2.31 7.92 -8.96 1 5 0 42 346.45 5 ↓
Lo Low (pH 4.5-6) 2.31 9.32 -110.73 3 5 2 48 348.466 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(4S)-8-fluorochroman-4-yl]amino]methyl]-5-isopropyl-N,N,2-trimethyl-pyrazol-3-amine 4-[[[(4S)-8-fluorochroman-4-yl]a…

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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 7.85 -33.26 2 5 1 44 347.458 5 ↓
Hi High (pH 8-9.5) 2.31 7.66 -7.81 1 5 0 42 346.45 5 ↓
Lo Low (pH 4.5-6) 2.31 9.17 -50.02 2 5 1 47 347.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N,2,5-tetramethyl-4-[[[(4S)-8-methylchroman-4-yl]amino]methyl]pyrazol-3-amine N,N,2,5-tetramethyl-4-[[[(4S)-8-…

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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 7.36 -29.87 2 5 1 44 315.441 4 ↓
Hi High (pH 8-9.5) 1.54 7.26 -7.47 1 5 0 42 314.433 4 ↓
Mid Mid (pH 6-8) 1.54 8.5 -42.64 2 5 1 47 315.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N,2,5-tetramethyl-4-[[[(4R)-8-methylchroman-4-yl]amino]methyl]pyrazol-3-amine N,N,2,5-tetramethyl-4-[[[(4R)-8-…

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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 7.6 -29.62 2 5 1 44 315.441 4 ↓
Hi High (pH 8-9.5) 1.54 7.5 -7.43 1 5 0 42 314.433 4 ↓
Mid Mid (pH 6-8) 1.54 8.5 -42.66 2 5 1 47 315.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(4R)-6,8-dimethylchroman-4-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(4R)-6,8-dimethylchroman-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) 1.94 8.22 -29.77 2 5 1 44 329.468 4 ↓
Hi High (pH 8-9.5) 1.94 8.12 -7.22 1 5 0 42 328.46 4 ↓
Mid Mid (pH 6-8) 1.94 9.13 -43.24 2 5 1 47 329.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(4S)-6,8-dimethylchroman-4-yl]amino]methyl]-N,N,2,5-tetramethyl-pyrazol-3-amine 4-[[[(4S)-6,8-dimethylchroman-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) 1.94 7.98 -29.96 2 5 1 44 329.468 4 ↓
Hi High (pH 8-9.5) 1.94 7.87 -7.28 1 5 0 42 328.46 4 ↓
Mid Mid (pH 6-8) 1.94 9.12 -43.1 2 5 1 47 329.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]-6,8-dimethyl-chroman-4-amine (4R)-N-[(3-isopropyl-5-methoxy-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) 2.95 7.84 -43.21 2 5 1 53 344.479 5 ↓
Mid Mid (pH 6-8) 2.95 6.82 -8 1 5 0 48 343.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]-6,8-dimethyl-chroman-4-amine (4S)-N-[(3-isopropyl-5-methoxy-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) 2.95 7.83 -44.11 2 5 1 53 344.479 5 ↓
Mid Mid (pH 6-8) 2.95 6.61 -7.27 1 5 0 48 343.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]chroman-4-amine (4R)-N-[(5-methoxy-1,3-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) 1.10 5.12 -44.19 2 5 1 53 288.371 4 ↓
Mid Mid (pH 6-8) 1.10 3.91 -7.98 1 5 0 48 287.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]chroman-4-amine (4S)-N-[(5-methoxy-1,3-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) 1.10 5.18 -44.65 2 5 1 53 288.371 4 ↓
Mid Mid (pH 6-8) 1.10 4.14 -8.45 1 5 0 48 287.363 4 ↓

Analogs

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Popular Name: (4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]chroman-4-amine (4R)-N-[(1-tert-butylpyrazol-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) 1.88 7.85 -46.45 2 4 1 44 286.399 4 ↓
Hi High (pH 8-9.5) 1.88 6.62 -8.06 1 4 0 39 285.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1-tert-butylpyrazol-4-yl)methyl]chroman-4-amine (4S)-N-[(1-tert-butylpyrazol-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) 1.88 7.85 -45.74 2 4 1 44 286.399 4 ↓
Hi High (pH 8-9.5) 1.88 6.88 -7.4 1 4 0 39 285.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]chroman-4-amine (4R)-N-[(3-isopropyl-1-methyl-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) 1.97 7.67 -47.55 2 4 1 44 286.399 4 ↓
Mid Mid (pH 6-8) 1.97 6.43 -8.43 1 4 0 39 285.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]chroman-4-amine (4S)-N-[(3-isopropyl-1-methyl-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) 1.97 7.67 -47.97 2 4 1 44 286.399 4 ↓
Mid Mid (pH 6-8) 1.97 6.7 -7.95 1 4 0 39 285.391 4 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1R)-1-(1,5-dime…

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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 7.45 -44.11 2 4 1 44 351.268 3 ↓
Hi High (pH 8-9.5) 2.26 6.43 -8.16 1 4 0 39 350.26 3 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]chroman-4-amine (4R)-6-bromo-N-[(1S)-1-(1,5-dime…

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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 6.79 -44.27 2 4 1 44 351.268 3 ↓
Hi High (pH 8-9.5) 2.26 6.2 -7.75 1 4 0 39 350.26 3 ↓

Analogs

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Popular Name: (4S)-6-bromo-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1R)-1-(1,5-dime…

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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 6.82 -44.29 2 4 1 44 351.268 3 ↓
Hi High (pH 8-9.5) 2.26 6.6 -8.36 1 4 0 39 350.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]chroman-4-amine (4S)-6-bromo-N-[(1S)-1-(1,5-dime…

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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 7.43 -44.15 2 4 1 44 351.268 3 ↓
Hi High (pH 8-9.5) 2.26 6.54 -7.58 1 4 0 39 350.26 3 ↓

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