UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,5S)-N-(4-methyl-3-nitro-phenyl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(4-methyl-3-nitro-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) 3.35 7.53 -47.99 3 5 1 74 262.333 3 ↓

Analogs

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Popular Name: (1R,5S)-N-methyl-N-(4-methyl-3-nitro-phenyl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-methyl-N-(4-methyl-3-n…

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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) 2.93 6.81 -55.32 2 5 1 66 276.36 3 ↓

Analogs

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Popular Name: (1R,5S)-N-ethyl-N-(4-methyl-3-nitro-phenyl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-ethyl-N-(4-methyl-3-ni…

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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) 3.30 6.95 -55.17 2 5 1 66 290.387 4 ↓

Analogs

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Popular Name: (1R,5S)-3-(aminomethyl)-N-ethyl-8-methyl-N-(m-tolyl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-3-(aminomethyl)-N-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) 2.51 7.42 -101.64 4 3 2 35 289.467 4 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 3.38 7.13 -44.3 3 3 1 52 262.764 2 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-chloro-benzamide 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 2.44 3.76 -39.81 5 4 1 72 280.779 3 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methyl-amino]-5-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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 6.01 -39.58 2 3 1 44 276.791 2 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methyl-amino]-5-chloro-benzamide 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 2.02 4.88 -36.67 4 4 1 63 294.806 3 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-ethyl-amino]-5-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 3.33 6.78 -42.15 2 3 1 44 290.818 3 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-ethyl-amino]-5-chloro-benzamide 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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 4.24 -41.99 4 4 1 63 308.833 4 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-propyl-amino]-5-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 3.83 7.81 -40.48 2 3 1 44 304.845 4 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 3.35 7.04 -45.4 3 3 1 52 262.764 2 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-chloro-benzamide 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 2.42 2.13 -47.01 5 4 1 72 280.779 3 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methyl-amino]-6-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 2.93 5.9 -40.88 2 3 1 44 276.791 2 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methyl-amino]-6-chloro-benzamide 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 1.99 4.63 -44.71 4 4 1 63 294.806 3 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-ethyl-amino]-6-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 3.30 6.5 -44.21 2 3 1 44 290.818 3 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-ethyl-amino]-6-chloro-benzamide 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 2.37 5.08 -41.89 4 4 1 63 308.833 4 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-propyl-amino]-6-chloro-benzonitrile 2-[[(1R,5S)-8-azabicyclo[3.2.1]o…

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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) 3.81 7.67 -41.77 2 3 1 44 304.845 4 ↓

Analogs

40746436
40746436

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Popular Name: 2-fluoro-6-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzonitrile 2-fluoro-6-[[(1S,5R)-8-methyl-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) 3.08 8.7 -42.09 2 3 1 40 260.336 2 ↓

Analogs

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Popular Name: N4,N4-dimethyl-N1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzene-1,4-diamine N4,N4-dimethyl-N1-[(1S,5R)-8-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) 3.36 5.15 -3.12 1 3 0 19 259.397 3 ↓

Analogs

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Popular Name: (1S,5R)-N-(4-fluoro-2-nitro-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-N-(4-fluoro-2-nitro-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) 3.31 8.12 -42.96 2 5 1 62 280.323 3 ↓

Analogs

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Popular Name: (1S,5R)-N-(5-chloro-2-nitro-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-N-(5-chloro-2-nitro-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) 3.82 8.56 -38.56 2 5 1 62 296.778 3 ↓

Analogs

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Popular Name: (1S,5R)-N-(2-chloro-4-nitro-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-N-(2-chloro-4-nitro-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) 3.82 8.37 -44.94 2 5 1 62 296.778 3 ↓

Analogs

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Popular Name: (1S,5R)-N-(4-chloro-2-nitro-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-N-(4-chloro-2-nitro-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) 3.82 8.57 -42.07 2 5 1 62 296.778 3 ↓

Analogs

45652683
45652683
45652685
45652685

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Popular Name: 2-chloro-5-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzonitrile 2-chloro-5-[[(1S,5R)-8-methyl-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) 3.62 7.88 -43.2 2 3 1 40 276.791 2 ↓

Analogs

19506045
19506045

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Popular Name: (1R,5S)-8-methyl-N-(2-propylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-methyl-N-(2-propylphen…

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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) 4.52 9.35 -34.78 2 2 1 16 259.417 4 ↓

Analogs

45652862
45652862
45652865
45652865

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Popular Name: N-methyl-3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzenesulfonamide N-methyl-3-[[(1R,5S)-8-methyl-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) 2.30 4.44 -43.99 3 5 1 63 310.443 4 ↓

Analogs

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Popular Name: (1S,5R)-8-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-8-methyl-N-[4-(trifluoro…

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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) 7.24 8.56 -37.59 2 2 1 16 317.4 4 ↓

Analogs

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Popular Name: N-[4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]phenyl]propanamide N-[4-[[(1R,5S)-8-methyl-8-azabic…

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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 6.76 -39.25 3 4 1 46 288.415 4 ↓

Analogs

45653850
45653850
45653852
45653852

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Popular Name: 4-chloro-N-methyl-3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzamide 4-chloro-N-methyl-3-[[(1R,5S)-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) 3.06 5.9 -36.86 3 4 1 46 308.833 3 ↓

Analogs

37777636
37777636
37780336
37780336

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Popular Name: 2-[3-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]phenoxy]acetonitrile 2-[3-[[(1S,5R)-8-methyl-8-azabic…

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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 8.29 -41.06 2 4 1 49 272.372 4 ↓

Analogs

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Popular Name: (1S,5R)-N-(4-chloro-3-fluoro-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-N-(4-chloro-3-fluoro-phe…

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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) 4.03 7.64 -39.66 2 2 1 16 269.771 2 ↓

Analogs

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Popular Name: 2-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]phenyl]acetonitrile 2-[4-[[(1S,5R)-8-methyl-8-azabic…

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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 8.25 -39.39 2 3 1 40 256.373 3 ↓

Analogs

45653889
45653889
45653891
45653891

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Popular Name: 2-[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]phenyl]sulfanylacetamide 2-[2-[[(1S,5R)-8-methyl-8-azabic…

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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) 2.38 5.11 -39.13 4 4 1 60 306.455 5 ↓

Analogs

45653892
45653892
45653894
45653894

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Popular Name: 3-bromo-4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzonitrile 3-bromo-4-[[(1S,5R)-8-methyl-8-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) 3.75 8.17 -41.66 2 3 1 40 321.242 2 ↓

Analogs

45653942
45653942
45653944
45653944

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Popular Name: 2-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]phenyl]acetamide 2-[4-[[(1S,5R)-8-methyl-8-azabic…

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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) 2.17 4.55 -39.9 4 4 1 60 274.388 4 ↓

Analogs

40746416
40746416

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Popular Name: (1S,5R)-8-methyl-N-(2-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-8-methyl-N-(2-methylsulf…

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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) 2.52 5.06 -46.37 2 4 1 51 295.428 3 ↓

Analogs

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Popular Name: (1S,5R)-N-(2,4-difluoro-5-nitro-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-N-(2,4-difluoro-5-nitro-…

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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) 3.40 7.9 -42.38 2 5 1 62 298.313 3 ↓

Analogs

45653976
45653976
45653978
45653978

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]phenyl]methanesulfonamide N-[4-[[(1S,5R)-8-methyl-8-azabic…

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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 3.69 -43.37 3 5 1 63 310.443 4 ↓
Hi High (pH 8-9.5) 2.49 3.86 -63.79 2 5 0 65 309.435 4 ↓

Analogs

45284119
45284119
45299958
45299958
34228007
34228007

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Popular Name: N,N-dimethyl-3-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzamide N,N-dimethyl-3-[[(1S,5R)-8-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) 2.20 8.18 -45.82 2 4 1 37 288.415 3 ↓

Analogs

20523789
20523789
22223089
22223089

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Popular Name: N2,N2-dimethyl-N1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzene-1,2-diamine N2,N2-dimethyl-N1-[(1S,5R)-8-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) 3.31 6.01 -1.98 1 3 0 19 259.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzamide N,4-dimethyl-3-[[(1R,5S)-8-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) 2.83 6.09 -38.16 3 4 1 46 288.415 3 ↓

Analogs

37780773
37780773

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Popular Name: (1R,5S)-N-(3-chloro-4-isopropoxy-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(3-chloro-4-isopropoxy…

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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) 4.66 9.7 -38.73 2 3 1 26 309.861 4 ↓

Analogs

8703801
8703801
8703802
8703802

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzoic 4-methyl-3-[[(1R,5S)-8-methyl-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) 3.55 8.38 -71.36 2 4 0 57 274.364 3 ↓

Analogs

45654045
45654045
45654047
45654047

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzoic 2-fluoro-5-[[(1S,5R)-8-methyl-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) 2.92 7.66 -79.25 2 4 0 57 278.327 3 ↓

Analogs

45654049
45654049
45654051
45654051

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzoic 4-fluoro-3-[[(1S,5R)-8-methyl-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) 3.26 7.73 -63.4 2 4 0 57 278.327 3 ↓

Analogs

45654053
45654053
45654055
45654055

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzonitrile 3-fluoro-4-methyl-5-[[(1R,5S)-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) 3.48 9.41 -42.03 2 3 1 40 274.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzamide N-ethyl-4-[[(1R,5S)-8-methyl-8-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) 2.83 6.17 -42.79 3 4 1 46 288.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-(5-bromo-2-methyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(5-bromo-2-methyl-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) 4.44 8.44 -35.37 2 2 1 16 310.259 2 ↓

Analogs

37780336
37780336

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-(3-ethoxy-4-methoxy-phenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-(3-ethoxy-4-methoxy-ph…

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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) 3.28 7.16 -40.35 2 4 1 35 291.415 5 ↓

Parameters Provided:

ring.id = 6134
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 6134 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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