UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5354766
5354766

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Popular Name: 7,7-dioxo-8-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]oct-7-yl)carbonylmethyl]-7$l^{6}-thia-8-azabicyclo[ 7,7-dioxo-8-[(3,3,5-trimethyl-7-…

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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) 2.12 6.63 -19.85 0 6 0 75 376.478 2 ↓

Analogs

9134830
9134830
34875779
34875779

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Popular Name: 6-Azabicyclo[3.2.1]octane, 6-(1H-indol-6-ylcarbonyl)-1,3,3-trimethyl- 6-Azabicyclo[3.2.1]octane, 6-(1H…

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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 9.45 -11.06 1 3 0 36 296.414 1 ↓

Analogs

34875779
34875779
9134829
9134829

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Popular Name: 6-Azabicyclo[3.2.1]octane, 6-(1H-indol-6-ylcarbonyl)-1,3,3-trimethyl- 6-Azabicyclo[3.2.1]octane, 6-(1H…

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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 9.42 -10.66 1 3 0 36 296.414 1 ↓

Analogs

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Popular Name: 2-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]aniline 2-[[(1R,5S)-1,3,3-trimethyl-6-az…

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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) 2.98 5.46 -9.63 2 4 0 63 308.447 2 ↓

Analogs

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Popular Name: 2-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]aniline 2-[[(1S,5R)-1,3,3-trimethyl-6-az…

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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) 2.98 5.47 -9.65 2 4 0 63 308.447 2 ↓

Analogs

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Popular Name: 1-methyl-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]pyrazol-3-amine 1-methyl-4-[[(1R,5S)-1,3,3-trime…

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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) 1.53 3.9 -11.87 2 6 0 81 312.439 2 ↓

Analogs

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Popular Name: 1-methyl-4-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]pyrazol-3-amine 1-methyl-4-[[(1S,5R)-1,3,3-trime…

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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) 1.53 3.89 -11.76 2 6 0 81 312.439 2 ↓

Analogs

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Popular Name: (3R)-3-(1H-indol-3-yl)-3-(3-thienyl)-1-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]propan (3R)-3-(1H-indol-3-yl)-3-(3-thie…

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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) 5.16 13.48 -11.56 1 3 0 36 406.595 4 ↓

Analogs

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Popular Name: (3R)-3-(1H-indol-3-yl)-3-(3-thienyl)-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]propan (3R)-3-(1H-indol-3-yl)-3-(3-thie…

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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) 5.16 13.48 -11.43 1 3 0 36 406.595 4 ↓

Analogs

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Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-1-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]oc (3S)-3-(3,5-dimethoxyphenyl)-3-(…

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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) 5.68 14.78 -14.29 0 5 0 44 474.645 6 ↓

Analogs

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Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]oc (3S)-3-(3,5-dimethoxyphenyl)-3-(…

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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) 5.68 14.78 -14.24 0 5 0 44 474.645 6 ↓

Analogs

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Popular Name: (3R)-3-(1-methylindol-3-yl)-3-(2-thienyl)-1-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]p (3R)-3-(1-methylindol-3-yl)-3-(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) 5.54 15.59 -10.64 0 3 0 25 420.622 4 ↓

Analogs

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Popular Name: (3R)-3-(1-methylindol-3-yl)-3-(2-thienyl)-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]p (3R)-3-(1-methylindol-3-yl)-3-(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) 5.54 15.59 -10.68 0 3 0 25 420.622 4 ↓

Analogs

35497832
35497832

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Popular Name: 3-allyl-5-methyl-2-[[4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]oxazol-2-yl]met 3-allyl-5-methyl-2-[[4-[(1R,5S)-…

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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) 4.85 11.33 -13.49 0 7 0 81 498.674 6 ↓

Analogs

35497829
35497829

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Popular Name: 3-allyl-5-methyl-2-[[4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]oxazol-2-yl]met 3-allyl-5-methyl-2-[[4-[(1S,5R)-…

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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) 4.85 11.32 -13.56 0 7 0 81 498.674 6 ↓

Analogs

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Popular Name: (E)-3-[7-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1 (E)-3-[7-methyl-2-(p-tolyl)imida…

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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) 6.25 16.01 -12.32 0 4 0 38 427.592 3 ↓
Mid Mid (pH 6-8) 6.25 16.57 -31.06 1 4 1 39 428.6 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone 2-(3-aminophenyl)-1-[(1R,5S)-1,3…

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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 8.36 -9.26 2 3 0 46 286.419 2 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone 2-(3-aminophenyl)-1-[(1S,5R)-1,3…

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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 8.36 -9.27 2 3 0 46 286.419 2 ↓

Analogs

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Popular Name: N-ethyl-4-oxo-1-phenethyl-5-[(1R,5S)-1,3,3-trimethyl6-azabicyclo[3.2.1]octane-6-carbonyl]pyridine-3- N-ethyl-4-oxo-1-phenethyl-5-[(1R…

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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) 2.97 2.19 -45.69 1 6 0 71 449.595 6 ↓

Analogs

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Popular Name: N-ethyl-4-oxo-1-phenethyl-5-[(1S,5R)-1,3,3-trimethyl6-azabicyclo[3.2.1]octane-6-carbonyl]pyridine-3- N-ethyl-4-oxo-1-phenethyl-5-[(1S…

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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) 2.97 2.16 -45.65 1 6 0 71 449.595 6 ↓

Analogs

11815729
11815729
15001959
15001959
15001962
15001962
39380038
39380038

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Popular Name: (3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]o (3S)-1-(2-methoxyethyl)-3-(2-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) 2.69 2.72 -16.07 0 7 0 76 456.583 7 ↓

Analogs

15001959
15001959
15001962
15001962
39380038
39380038
11815728
11815728

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Popular Name: (3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]o (3R)-1-(2-methoxyethyl)-3-(2-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) 2.69 11.47 -16.27 0 7 0 76 456.583 7 ↓

Analogs

35512527
35512527
35512529
35512529

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Popular Name: [(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]methanone [(1R,5S)-6-azabicyclo[3.2.1]octa…

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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) 5.03 -0.55 -10.48 0 4 0 46 350.393 2 ↓

Analogs

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Popular Name: (2S)-4-phenyl-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]butan-1-amine (2S)-4-phenyl-2-[(1S,5R)-3,3,5-t…

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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 9.73 -129.06 4 2 2 32 302.506 5 ↓
Hi High (pH 8-9.5) 3.75 7.86 -45.03 3 2 1 31 301.498 5 ↓
Hi High (pH 8-9.5) 3.75 9.52 -33.8 3 2 1 30 301.498 5 ↓

Analogs

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Popular Name: (2R)-2-(2-methoxyphenyl)-2-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethanamine (2R)-2-(2-methoxyphenyl)-2-[(1R,…

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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) 3.03 6.17 -42.27 3 3 1 40 303.47 4 ↓
Hi High (pH 8-9.5) 3.03 7.48 -25.87 3 3 1 40 303.47 4 ↓

Analogs

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Popular Name: (2R)-2-(3-methoxyphenyl)-2-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethanamine (2R)-2-(3-methoxyphenyl)-2-[(1R,…

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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 5.99 -42.96 3 3 1 40 303.47 4 ↓
Hi High (pH 8-9.5) 3.06 7.23 -33.34 3 3 1 40 303.47 4 ↓

Analogs

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Popular Name: (2R)-2-(4-methoxyphenyl)-2-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethanamine (2R)-2-(4-methoxyphenyl)-2-[(1R,…

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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 5.99 -46.26 3 3 1 40 303.47 4 ↓
Hi High (pH 8-9.5) 3.08 7.7 -29.96 3 3 1 40 303.47 4 ↓

Analogs

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Popular Name: (1R,5S)-6-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-6-azabicyclo[3.2.1]octane (1R,5S)-6-[[2-methylsulfonyl-3-(…

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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) 4.45 -2.71 -50.87 1 5 1 56 388.557 7 ↓
Mid Mid (pH 6-8) 4.45 -2.44 -112.28 2 5 2 58 389.565 7 ↓

Analogs

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Popular Name: 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-N,N-dimethyl-aniline 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 3.13 7.1 -43.43 3 3 1 34 316.513 4 ↓
Hi High (pH 8-9.5) 3.13 8.78 -27.64 3 3 1 34 316.513 4 ↓

Analogs

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Popular Name: 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-6-methoxy-phenol 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 2.57 3.99 -48.47 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.57 5.33 -30.25 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.57 6.2 -37.47 3 4 0 63 318.461 4 ↓

Analogs

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Popular Name: 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-2-methoxy-phenol 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 2.36 3.83 -48.94 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.36 5.07 -37.84 4 4 1 60 319.469 4 ↓

Analogs

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Popular Name: 5-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-2-methoxy-phenol 5-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 2.36 3.83 -46.51 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.36 5.07 -37.73 4 4 1 60 319.469 4 ↓

Analogs

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Popular Name: 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-5-methoxy-phenol 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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 3.3 -49.95 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 3.00 4.87 -32.53 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 3.00 5.59 -36.14 3 4 0 63 318.461 4 ↓

Analogs

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Popular Name: [(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-[4-[[1-(2-pyridylmethyl)-4-piperidyl]oxy]phenyl]methanone [(1R,5S)-6-azabicyclo[3.2.1]octa…

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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 -0.06 -51.14 1 5 1 47 406.55 5 ↓
Lo Low (pH 4.5-6) 3.17 0 -125.11 2 5 2 48 407.558 5 ↓

Analogs

11841752
11841752

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(o-tolyl)-3-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]-1-(3-pyrid (3R)-3-(o-tolyl)-3-[2-oxo-2-[(1R…

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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 2.4 -13.65 0 6 0 71 473.617 5 ↓
Lo Low (pH 4.5-6) 3.26 2.51 -32.66 1 6 1 72 474.625 5 ↓

Analogs

11841751
11841751

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(o-tolyl)-3-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]-1-(3-pyrid (3S)-3-(o-tolyl)-3-[2-oxo-2-[(1R…

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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 2.69 -14.12 0 6 0 71 473.617 5 ↓
Lo Low (pH 4.5-6) 3.26 2.8 -36.51 1 6 1 72 474.625 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-6-[[3-[1-(p-tolyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-6-azabicyclo[3.2.1]octane (1R,5S)-6-[[3-[1-(p-tolyl)cyclop…

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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) 5.63 0.44 -35.95 1 4 1 43 352.502 4 ↓

Analogs

11995527
11995527
12388121
12388121
11789367
11789367
11789368
11789368

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Popular Name: 2-methoxy-N-[1-methyl-2-(4-pyridyl)-7-[(1S,5R)-3,3,5-trimethyl7-azabicyclo[3.2.1]octane-7-carbonyl]b 2-methoxy-N-[1-methyl-2-(4-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) 2.65 10.37 -21.12 1 8 0 89 475.593 5 ↓
Lo Low (pH 4.5-6) 2.65 10.83 -50.62 2 8 1 91 476.601 5 ↓

Analogs

12388121
12388121
11995526
11995526
11789367
11789367

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[1-methyl-2-(4-pyridyl)-7-[(1R,5S)-3,3,5-trimethyl7-azabicyclo[3.2.1]octane-7-carbonyl]b 2-methoxy-N-[1-methyl-2-(4-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) 2.65 10.23 -20.51 1 8 0 89 475.593 5 ↓
Lo Low (pH 4.5-6) 2.65 10.68 -50.78 2 8 1 91 476.601 5 ↓

Analogs

11997424
11997424
39388231
39388231

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan- (3R)-1-cyclopentyl-3-(2-methoxyp…

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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) 4.11 14.21 -14.27 0 6 0 67 466.622 5 ↓

Analogs

39388231
39388231
11997419
11997419

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan- (3S)-1-cyclopentyl-3-(2-methoxyp…

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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) 4.11 3.25 -15.01 0 6 0 67 466.622 5 ↓

Analogs

11997955
11997955
11881487
11881487
11881488
11881488

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Popular Name: 2-(thiazol-2-ylmethyl)-4-[(3R)-3-[(1R,5S)-3,3,5-trimethyl7-azabicyclo[3.2.1]octane-7-carbonyl]-1-pip 2-(thiazol-2-ylmethyl)-4-[(3R)-3…

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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) 3.94 12.55 -19.8 0 7 0 76 506.672 4 ↓

Analogs

11997952
11997952
11881487
11881487

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(thiazol-2-ylmethyl)-4-[(3R)-3-[(1S,5R)-3,3,5-trimethyl7-azabicyclo[3.2.1]octane-7-carbonyl]-1-pip 2-(thiazol-2-ylmethyl)-4-[(3R)-3…

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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) 3.94 12.67 -19.86 0 7 0 76 506.672 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[4-[(1R,5S)-6-azabicyclo[3.2.1]octane-6-carbonyl]phenoxy]-1-piperidyl]-3-methoxy-propan-1-one 1-[4-[4-[(1R,5S)-6-azabicyclo[3.…

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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 9.25 -15.46 0 6 0 59 400.519 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[4-[(1R,5S)-6-azabicyclo[3.2.1]octane-6-carbonyl]phenoxy]-1-piperidyl]-2-methoxy-ethanone 1-[4-[4-[(1R,5S)-6-azabicyclo[3.…

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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) 2.25 9.57 -19.02 0 6 0 59 386.492 5 ↓

Analogs

12027406
12027406

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxo-ethyl]-3-(3-fluorophenyl)-1-(3-pyridylmethyl (3R)-3-[2-[(1S,5R)-6-azabicyclo[…

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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 1.74 -17.68 0 6 0 71 435.499 5 ↓

Analogs

12027401
12027401

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxo-ethyl]-3-(3-fluorophenyl)-1-(3-pyridylmethyl (3S)-3-[2-[(1S,5R)-6-azabicyclo[…

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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 1.79 -16.97 0 6 0 71 435.499 5 ↓

Analogs

12579466
12579466
59372639
59372639

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]isoxazol-3-yl]-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1 [5-[[4-(1,2,4-triazol-1-yl)pheno…

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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 12.76 -14.18 0 8 0 86 421.501 5 ↓

Analogs

12030832
12030832

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(dimethylsulfamoylamino)-2-isobutyl-1-methyl-7-[(1R,5S)-1,3,3-trimethyl6-azabicyclo[3.2.1]octane-6 5-(dimethylsulfamoylamino)-2-iso…

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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 -3.08 -14.64 1 8 0 88 489.686 6 ↓
Mid Mid (pH 6-8) 3.31 -2.92 -33.33 2 8 1 89 490.694 6 ↓

Analogs

12030828
12030828

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(dimethylsulfamoylamino)-2-isobutyl-1-methyl-7-[(1S,5R)-1,3,3-trimethyl6-azabicyclo[3.2.1]octane-6 5-(dimethylsulfamoylamino)-2-iso…

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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 -2.98 -14.67 1 8 0 88 489.686 6 ↓
Mid Mid (pH 6-8) 3.31 -2.81 -33.85 2 8 1 89 490.694 6 ↓

Parameters Provided:

ring.id = 2383
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 = 2383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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