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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: (R)-1-adamantyl-(6-methyl-3-pyridyl)methanol (R)-1-adamantyl-(6-methyl-3-pyri…

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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 6.27 -4.16 1 2 0 33 257.377 2 ↓
Mid Mid (pH 6-8) 2.88 6.7 -32.67 2 2 1 34 258.385 2 ↓

Analogs

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Popular Name: (S)-1-adamantyl-(6-methyl-3-pyridyl)methanol (S)-1-adamantyl-(6-methyl-3-pyri…

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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 6.3 -4.17 1 2 0 33 257.377 2 ↓
Mid Mid (pH 6-8) 2.88 6.74 -32.59 2 2 1 34 258.385 2 ↓

Analogs

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Popular Name: (R)-1-adamantyl-(6-methyl-3-pyridyl)methanamine (R)-1-adamantyl-(6-methyl-3-pyri…

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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) 1.18 6.61 -50.22 3 2 1 41 257.401 2 ↓
Hi High (pH 8-9.5) 1.18 6.27 -3.82 2 2 0 39 256.393 2 ↓
Mid Mid (pH 6-8) 1.18 7.05 -115.34 4 2 2 42 258.409 2 ↓

Analogs

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Popular Name: (S)-1-adamantyl-(6-methyl-3-pyridyl)methanamine (S)-1-adamantyl-(6-methyl-3-pyri…

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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) 1.18 6.61 -50.2 3 2 1 41 257.401 2 ↓
Hi High (pH 8-9.5) 1.18 6.31 -3.1 2 2 0 39 256.393 2 ↓
Mid Mid (pH 6-8) 1.18 7.05 -115.37 4 2 2 42 258.409 2 ↓

Analogs

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Popular Name: (1R)-1-(1-adamantyl)-N-methyl-1-(6-methyl-3-pyridyl)methanamine (1R)-1-(1-adamantyl)-N-methyl-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) 3.43 8.34 -43.7 2 2 1 29 271.428 3 ↓
Hi High (pH 8-9.5) 3.43 7.59 -3.61 1 2 0 25 270.42 3 ↓
Mid Mid (pH 6-8) 3.43 8.78 -107.33 3 2 2 31 272.436 3 ↓

Analogs

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Popular Name: (1S)-1-(1-adamantyl)-N-methyl-1-(6-methyl-3-pyridyl)methanamine (1S)-1-(1-adamantyl)-N-methyl-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) 3.43 8.39 -43.69 2 2 1 29 271.428 3 ↓
Hi High (pH 8-9.5) 3.43 7.42 -2.91 1 2 0 25 270.42 3 ↓
Mid Mid (pH 6-8) 3.43 8.83 -107.36 3 2 2 31 272.436 3 ↓

Analogs

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Popular Name: (R)-1-adamantyl-(2-amino-3-pyridyl)methanol (R)-1-adamantyl-(2-amino-3-pyrid…

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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 5.07 -33.08 4 3 1 60 259.373 2 ↓
Hi High (pH 8-9.5) 2.60 4.59 -4.43 3 3 0 59 258.365 2 ↓

Analogs

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Popular Name: (S)-1-adamantyl-(2-amino-3-pyridyl)methanol (S)-1-adamantyl-(2-amino-3-pyrid…

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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 5.07 -33.1 4 3 1 60 259.373 2 ↓
Hi High (pH 8-9.5) 2.60 4.59 -4.43 3 3 0 59 258.365 2 ↓

Analogs

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Popular Name: (R)-1-adamantyl-(4-amino-3-pyridyl)methanol (R)-1-adamantyl-(4-amino-3-pyrid…

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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 4.32 -33.53 4 3 1 60 259.373 2 ↓

Analogs

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Popular Name: (S)-1-adamantyl-(4-amino-3-pyridyl)methanol (S)-1-adamantyl-(4-amino-3-pyrid…

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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 4.32 -33.5 4 3 1 60 259.373 2 ↓

Analogs

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Popular Name: 3-[(R)-1-adamantyl(amino)methyl]pyridin-2-amine 3-[(R)-1-adamantyl(amino)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) 0.90 5.4 -110.6 6 3 2 68 259.397 2 ↓
Hi High (pH 8-9.5) 0.90 4.93 -51.91 5 3 1 67 258.389 2 ↓
Hi High (pH 8-9.5) 0.90 4.62 -3.33 4 3 0 65 257.381 2 ↓

Analogs

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Popular Name: 3-[(S)-1-adamantyl(amino)methyl]pyridin-2-amine 3-[(S)-1-adamantyl(amino)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) 0.90 5.33 -110.85 6 3 2 68 259.397 2 ↓
Hi High (pH 8-9.5) 0.90 4.86 -51.83 5 3 1 67 258.389 2 ↓
Hi High (pH 8-9.5) 0.90 4.55 -4 4 3 0 65 257.381 2 ↓

Analogs

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Popular Name: 3-[(R)-1-adamantyl(amino)methyl]pyridin-4-amine 3-[(R)-1-adamantyl(amino)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) 0.54 4.65 -114.94 6 3 2 68 259.397 2 ↓
Hi High (pH 8-9.5) 0.54 4.35 -31.91 5 3 1 66 258.389 2 ↓

Analogs

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Popular Name: 3-[(S)-1-adamantyl(amino)methyl]pyridin-4-amine 3-[(S)-1-adamantyl(amino)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) 0.54 4.57 -114.89 6 3 2 68 259.397 2 ↓
Hi High (pH 8-9.5) 0.54 4.24 -30.55 5 3 1 66 258.389 2 ↓

Analogs

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Popular Name: 3-[(R)-1-adamantyl(methylamino)methyl]pyridin-2-amine 3-[(R)-1-adamantyl(methylamino)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) 3.15 7.09 -103.3 5 3 2 57 273.424 3 ↓
Hi High (pH 8-9.5) 3.15 6.62 -44.94 4 3 1 56 272.416 3 ↓
Hi High (pH 8-9.5) 3.15 6.2 -31.66 4 3 1 52 272.416 3 ↓

Analogs

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Popular Name: 3-[(S)-1-adamantyl(methylamino)methyl]pyridin-2-amine 3-[(S)-1-adamantyl(methylamino)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) 3.15 7.04 -103.01 5 3 2 57 273.424 3 ↓
Hi High (pH 8-9.5) 3.15 6.56 -44.54 4 3 1 56 272.416 3 ↓
Hi High (pH 8-9.5) 3.15 6.35 -29.43 4 3 1 52 272.416 3 ↓

Analogs

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Popular Name: 3-[(R)-1-adamantyl(methylamino)methyl]pyridin-4-amine 3-[(R)-1-adamantyl(methylamino)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) 2.79 6.28 -106.87 5 3 2 57 273.424 3 ↓
Hi High (pH 8-9.5) 2.79 5.39 -31.63 4 3 1 52 272.416 3 ↓

Analogs

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Popular Name: 3-[(S)-1-adamantyl(methylamino)methyl]pyridin-4-amine 3-[(S)-1-adamantyl(methylamino)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) 2.79 6.28 -106.68 5 3 2 57 273.424 3 ↓
Hi High (pH 8-9.5) 2.79 5.62 -28.5 4 3 1 52 272.416 3 ↓

Analogs

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Popular Name: 3-[(R)-1-adamantyl(ethylamino)methyl]pyridin-2-amine 3-[(R)-1-adamantyl(ethylamino)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) 3.53 7.93 -102.17 5 3 2 57 287.451 4 ↓
Hi High (pH 8-9.5) 3.53 7.12 -31.8 4 3 1 52 286.443 4 ↓

Analogs

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Popular Name: 3-[(S)-1-adamantyl(ethylamino)methyl]pyridin-2-amine 3-[(S)-1-adamantyl(ethylamino)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) 3.53 7.83 -101.67 5 3 2 57 287.451 4 ↓
Hi High (pH 8-9.5) 3.53 7.26 -29.53 4 3 1 52 286.443 4 ↓

Analogs

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Popular Name: 3-[(R)-1-adamantyl(ethylamino)methyl]pyridin-4-amine 3-[(R)-1-adamantyl(ethylamino)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) 3.17 7.12 -105.31 5 3 2 57 287.451 4 ↓
Hi High (pH 8-9.5) 3.17 6.33 -31.76 4 3 1 52 286.443 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(S)-1-adamantyl(ethylamino)methyl]pyridin-4-amine 3-[(S)-1-adamantyl(ethylamino)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) 3.17 7.03 -104.71 5 3 2 57 287.451 4 ↓
Hi High (pH 8-9.5) 3.17 6.52 -28.66 4 3 1 52 286.443 4 ↓

Parameters Provided:

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