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

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(6-nitro-3-pyridyl)pyrrolidin-3-yl]methanol [(3S)-1-(6-nitro-3-pyridyl)pyrro…

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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) 1.14 3.41 -12.07 1 6 0 82 223.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(6-nitro-3-pyridyl)pyrrolidin-3-yl]methanol [(3R)-1-(6-nitro-3-pyridyl)pyrro…

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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) 1.14 3.41 -11.98 1 6 0 82 223.232 3 ↓

Analogs

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Popular Name: 3-[(2R)-1-(6-nitro-3-pyridyl)pyrrolidin-2-yl]propan-1-ol 3-[(2R)-1-(6-nitro-3-pyridyl)pyr…

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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) 1.57 4.8 -11.94 1 6 0 82 251.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-1-(6-nitro-3-pyridyl)pyrrolidin-2-yl]propan-1-ol 3-[(2S)-1-(6-nitro-3-pyridyl)pyr…

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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) 1.57 4.78 -11.96 1 6 0 82 251.286 5 ↓

Analogs

37872659
37872659

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Popular Name: [(3S)-1-(6-methoxy-3-pyridyl)pyrrolidin-3-yl]methanamine [(3S)-1-(6-methoxy-3-pyridyl)pyr…

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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) 0.67 -0.53 -52.07 3 4 1 53 208.285 3 ↓

Analogs

37872659
37872659

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(6-methoxy-3-pyridyl)pyrrolidin-3-yl]methanamine [(3R)-1-(6-methoxy-3-pyridyl)pyr…

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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) 0.67 -0.33 -51.49 3 4 1 53 208.285 3 ↓

Analogs

42393197
42393197
42393201
42393201

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Popular Name: (2S)-1-(6-amino-3-pyridyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(6-amino-3-pyridyl)-N,N-d…

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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) 0.09 3.65 -31.4 3 5 1 64 235.311 2 ↓
Mid Mid (pH 6-8) 0.09 3.15 -13.66 2 5 0 62 234.303 2 ↓

Analogs

42393197
42393197
42393201
42393201

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Popular Name: (2R)-1-(6-amino-3-pyridyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(6-amino-3-pyridyl)-N,N-d…

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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) 0.09 3.51 -29.45 3 5 1 64 235.311 2 ↓
Mid Mid (pH 6-8) 0.09 2.98 -13.91 2 5 0 62 234.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(6-nitro-3-pyridyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(6-nitro-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) 1.26 7.1 -47.46 0 7 -1 102 250.234 3 ↓
Mid Mid (pH 6-8) 1.26 7.5 -52.51 1 7 0 103 251.242 3 ↓
Mid Mid (pH 6-8) 1.26 7.65 -54.7 1 7 0 103 251.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(6-nitro-3-pyridyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(6-nitro-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) 1.26 7.13 -45.93 0 7 -1 102 250.234 3 ↓
Mid Mid (pH 6-8) 1.26 7.63 -61.76 1 7 0 103 251.242 3 ↓
Mid Mid (pH 6-8) 1.26 7.54 -52.65 1 7 0 103 251.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(6-nitro-3-pyridyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(6-nitro-3-pyridy…

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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) 1.60 8.21 -61.72 1 7 0 103 265.269 4 ↓
Mid Mid (pH 6-8) 1.60 7.98 -51.25 1 7 0 103 265.269 4 ↓
Mid Mid (pH 6-8) 1.60 7.57 -46.5 0 7 -1 102 264.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(6-nitro-3-pyridyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(6-nitro-3-pyridy…

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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) 1.60 8.11 -60.78 1 7 0 103 265.269 4 ↓
Mid Mid (pH 6-8) 1.60 8.09 -48.58 1 7 0 103 265.269 4 ↓
Mid Mid (pH 6-8) 1.60 7.67 -44.67 0 7 -1 102 264.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-nitro-3-pyridyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(6-nitro-3-pyridyl)-3-pro…

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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) 2.15 8.98 -61.74 1 7 0 103 279.296 5 ↓
Mid Mid (pH 6-8) 2.15 8.34 -46.73 0 7 -1 102 278.288 5 ↓
Mid Mid (pH 6-8) 2.15 8.75 -51.32 1 7 0 103 279.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-nitro-3-pyridyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(6-nitro-3-pyridyl)-3-pro…

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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) 2.15 8.87 -60.9 1 7 0 103 279.296 5 ↓
Mid Mid (pH 6-8) 2.15 8.44 -44.9 0 7 -1 102 278.288 5 ↓
Mid Mid (pH 6-8) 2.15 8.85 -48.63 1 7 0 103 279.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(6-methyl-3-pyridyl)pyrrolidin-3-yl]methanamine [(3R)-1-(6-methyl-3-pyridyl)pyrr…

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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) 0.33 3.01 -51.36 3 3 1 44 192.286 2 ↓
Mid Mid (pH 6-8) 0.33 3.44 -86.22 4 3 2 45 193.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(6-methyl-3-pyridyl)pyrrolidin-3-yl]methanamine [(3S)-1-(6-methyl-3-pyridyl)pyrr…

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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) 0.33 3.02 -51.18 3 3 1 44 192.286 2 ↓
Mid Mid (pH 6-8) 0.33 3.45 -86.09 4 3 2 45 193.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-amine 5-[3-(dimethylamino)pyrrolidin-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) 0.94 4.74 -79.04 4 4 2 48 208.309 2 ↓
Hi High (pH 8-9.5) 0.94 1.87 -4.93 2 4 0 45 206.293 2 ↓
Mid Mid (pH 6-8) 0.94 2.36 -26.97 3 4 1 47 207.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-amine 5-[3-(dimethylamino)pyrrolidin-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) 0.94 4.76 -79.05 4 4 2 48 208.309 2 ↓
Hi High (pH 8-9.5) 0.94 1.89 -5.22 2 4 0 45 206.293 2 ↓
Mid Mid (pH 6-8) 0.94 2.37 -26.97 3 4 1 47 207.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-(diethylamino)pyrrolidin-1-yl]pyridin-2-amine 5-[(3R)-3-(diethylamino)pyrrolid…

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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) 1.70 5.8 -78.2 4 4 2 48 236.363 4 ↓
Hi High (pH 8-9.5) 1.70 3.3 -4.36 2 4 0 45 234.347 4 ↓
Mid Mid (pH 6-8) 1.70 3.68 -26.78 3 4 1 47 235.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]pyridin-2-amine 5-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.70 5.8 -78.24 4 4 2 48 236.363 4 ↓
Hi High (pH 8-9.5) 1.70 3.17 -4.82 2 4 0 45 234.347 4 ↓
Mid Mid (pH 6-8) 1.70 3.72 -26.41 3 4 1 47 235.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 2.32 7.58 -18.64 1 7 0 75 334.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-propyl-1-(3-pyridyl)pyrrolidin-3-amine (3R)-N-propyl-1-(3-pyridyl)pyrro…

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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) 1.75 5.08 -44.5 2 3 1 33 206.313 4 ↓
Lo Low (pH 4.5-6) 1.75 5.53 -86.15 3 3 2 34 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-propyl-1-(3-pyridyl)pyrrolidin-3-amine (3S)-N-propyl-1-(3-pyridyl)pyrro…

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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) 1.75 5.1 -44.36 2 3 1 33 206.313 4 ↓
Lo Low (pH 4.5-6) 1.75 5.56 -86.22 3 3 2 34 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-1-(3-pyridyl)pyrrolidin-3-amine (3R)-N-ethyl-1-(3-pyridyl)pyrrol…

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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 4.32 -43.53 2 3 1 33 192.286 3 ↓
Mid Mid (pH 6-8) 1.25 4.77 -84.6 3 3 2 34 193.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-1-(3-pyridyl)pyrrolidin-3-amine (3S)-N-ethyl-1-(3-pyridyl)pyrrol…

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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 4.34 -43.38 2 3 1 33 192.286 3 ↓
Mid Mid (pH 6-8) 1.25 4.79 -84.64 3 3 2 34 193.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-1-(3-pyridyl)pyrrolidin-3-amine (3R)-N-methyl-1-(3-pyridyl)pyrro…

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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) 0.87 3.49 -44.74 2 3 1 33 178.259 2 ↓
Mid Mid (pH 6-8) 0.87 3.94 -84.87 3 3 2 34 179.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-1-(3-pyridyl)pyrrolidin-3-amine (3S)-N-methyl-1-(3-pyridyl)pyrro…

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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) 0.87 3.5 -44.47 2 3 1 33 178.259 2 ↓
Mid Mid (pH 6-8) 0.87 3.96 -84.94 3 3 2 34 179.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-pyrrolidin-1-yl-pyridine 3-chloro-5-pyrrolidin-1-yl-pyridine

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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) 2.19 4.94 -3.39 0 2 0 16 182.654 1 ↓

Analogs

42433919
42433919

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(6-amino-3-pyridyl)pyrrolidin-2-yl]methanol [(2R)-1-(6-amino-3-pyridyl)pyrro…

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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) 0.55 0.95 -27.75 4 4 1 64 194.258 2 ↓
Mid Mid (pH 6-8) 0.55 0.48 -6.28 3 4 0 62 193.25 2 ↓

Analogs

42433918
42433918

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(6-amino-3-pyridyl)pyrrolidin-2-yl]methanol [(2S)-1-(6-amino-3-pyridyl)pyrro…

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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) 0.55 0.95 -27.72 4 4 1 64 194.258 2 ↓
Mid Mid (pH 6-8) 0.55 0.47 -6.27 3 4 0 62 193.25 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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