UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(6-quinolyl)cyclopropanol 1-(6-quinolyl)cyclopropanol

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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) 1.69 3.7 -7.34 1 2 0 33 185.226 1 ↓
Lo Low (pH 4.5-6) 1.69 4.13 -34.18 2 2 1 34 186.234 1 ↓

Analogs

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Popular Name: 1-[(1R,2S)-2-(6-quinolyl)cyclopropyl]ethanone 1-[(1R,2S)-2-(6-quinolyl)cyclopr…

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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) 2.04 7.41 -11.2 0 2 0 30 211.264 2 ↓
Lo Low (pH 4.5-6) 2.04 7.85 -35.05 1 2 1 31 212.272 2 ↓

Analogs

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Popular Name: 1-[(1S,2S)-2-(6-quinolyl)cyclopropyl]ethanone 1-[(1S,2S)-2-(6-quinolyl)cyclopr…

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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) 2.04 7.53 -9.05 0 2 0 30 211.264 2 ↓
Lo Low (pH 4.5-6) 2.04 7.96 -36.15 1 2 1 31 212.272 2 ↓

Analogs

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Popular Name: 1-[(1R,2R)-2-(6-quinolyl)cyclopropyl]ethanone 1-[(1R,2R)-2-(6-quinolyl)cyclopr…

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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) 2.04 7.53 -9.12 0 2 0 30 211.264 2 ↓
Lo Low (pH 4.5-6) 2.04 7.96 -36.03 1 2 1 31 212.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R)-2-(6-quinolyl)cyclopropyl]ethanone 1-[(1S,2R)-2-(6-quinolyl)cyclopr…

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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) 2.04 7.42 -11.41 0 2 0 30 211.264 2 ↓
Lo Low (pH 4.5-6) 2.04 7.86 -35.03 1 2 1 31 212.272 2 ↓

Analogs

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Popular Name: (1S)-1-[(1R,2S)-2-(6-quinolyl)cyclopropyl]ethanamine (1S)-1-[(1R,2S)-2-(6-quinolyl)cy…

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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) 1.71 5.5 -38.09 3 2 1 41 213.304 2 ↓
Lo Low (pH 4.5-6) 1.71 5.93 -87.34 4 2 2 42 214.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R,2S)-2-(6-quinolyl)cyclopropyl]ethanamine (1R)-1-[(1R,2S)-2-(6-quinolyl)cy…

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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) 1.71 5.14 -45.84 3 2 1 41 213.304 2 ↓
Lo Low (pH 4.5-6) 1.71 5.57 -85.58 4 2 2 42 214.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S,2S)-2-(6-quinolyl)cyclopropyl]ethanamine (1S)-1-[(1S,2S)-2-(6-quinolyl)cy…

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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) 1.71 5.87 -51.09 3 2 1 41 213.304 2 ↓
Lo Low (pH 4.5-6) 1.71 6.3 -84.56 4 2 2 42 214.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S,2S)-2-(6-quinolyl)cyclopropyl]ethanamine (1R)-1-[(1S,2S)-2-(6-quinolyl)cy…

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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) 1.71 5.68 -50.5 3 2 1 41 213.304 2 ↓
Lo Low (pH 4.5-6) 1.71 6.11 -87.07 4 2 2 42 214.312 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(6-quinolyl)cyclopropanamine (1S,2S)-2-(6-quinolyl)cyclopropa…

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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) 1.41 4.43 -44.9 3 2 1 41 185.25 1 ↓
Hi High (pH 8-9.5) 1.41 4.15 -6.21 2 2 0 39 184.242 1 ↓

Analogs

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Popular Name: (1S,2R)-2-(6-quinolyl)cyclopropanamine (1S,2R)-2-(6-quinolyl)cyclopropa…

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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) 1.41 4.28 -50.51 3 2 1 41 185.25 1 ↓
Hi High (pH 8-9.5) 1.41 3.95 -6.17 2 2 0 39 184.242 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6-quinolyl)cyclopropanamine (1R,2S)-2-(6-quinolyl)cyclopropa…

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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) 1.41 4.28 -50.54 3 2 1 41 185.25 1 ↓
Hi High (pH 8-9.5) 1.41 3.95 -6.36 2 2 0 39 184.242 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(6-quinolyl)cyclopropanamine (1R,2R)-2-(6-quinolyl)cyclopropa…

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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) 1.41 4.43 -44.9 3 2 1 41 185.25 1 ↓
Hi High (pH 8-9.5) 1.41 4.13 -6.7 2 2 0 39 184.242 1 ↓

Analogs

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Popular Name: [(1S,2R)-2-(6-quinolyl)cyclopropyl]methanamine [(1S,2R)-2-(6-quinolyl)cycloprop…

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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) 1.30 4.76 -47.28 3 2 1 41 199.277 2 ↓
Lo Low (pH 4.5-6) 1.30 5.2 -87.56 4 2 2 42 200.285 2 ↓

Analogs

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Popular Name: [(1S,2S)-2-(6-quinolyl)cyclopropyl]methanamine [(1S,2S)-2-(6-quinolyl)cycloprop…

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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) 1.30 5.01 -49.99 3 2 1 41 199.277 2 ↓
Lo Low (pH 4.5-6) 1.30 5.44 -84.75 4 2 2 42 200.285 2 ↓

Analogs

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Popular Name: [(1R,2R)-2-(6-quinolyl)cyclopropyl]methanamine [(1R,2R)-2-(6-quinolyl)cycloprop…

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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) 1.30 5.01 -50 3 2 1 41 199.277 2 ↓
Lo Low (pH 4.5-6) 1.30 5.44 -84.73 4 2 2 42 200.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-(6-quinolyl)cyclopropyl]methanamine [(1R,2S)-2-(6-quinolyl)cycloprop…

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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) 1.30 4.76 -47.27 3 2 1 41 199.277 2 ↓
Lo Low (pH 4.5-6) 1.30 5.2 -87.56 4 2 2 42 200.285 2 ↓

Analogs

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Popular Name: 1-(6-quinolyl)cyclopropanamine 1-(6-quinolyl)cyclopropanamine

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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) 1.74 4.18 -49.71 3 2 1 41 185.25 1 ↓
Hi High (pH 8-9.5) 1.74 3.9 -6.22 2 2 0 39 184.242 1 ↓
Lo Low (pH 4.5-6) 1.74 4.61 -90.09 4 2 2 42 186.258 1 ↓

Analogs

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Popular Name: N-methyl-1-[(1R,2S)-2-(6-quinolyl)cyclopropyl]methanamine N-methyl-1-[(1R,2S)-2-(6-quinoly…

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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) 2.29 6.64 -42.36 2 2 1 29 213.304 3 ↓
Lo Low (pH 4.5-6) 2.29 7.07 -82.87 3 2 2 31 214.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(1S,2S)-2-(6-quinolyl)cyclopropyl]methanamine N-methyl-1-[(1S,2S)-2-(6-quinoly…

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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) 2.29 6.89 -44.9 2 2 1 29 213.304 3 ↓
Lo Low (pH 4.5-6) 2.29 7.32 -80.19 3 2 2 31 214.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(1R,2R)-2-(6-quinolyl)cyclopropyl]methanamine N-methyl-1-[(1R,2R)-2-(6-quinoly…

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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) 2.29 6.89 -44.89 2 2 1 29 213.304 3 ↓
Lo Low (pH 4.5-6) 2.29 7.32 -80.2 3 2 2 31 214.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(1S,2R)-2-(6-quinolyl)cyclopropyl]methanamine N-methyl-1-[(1S,2R)-2-(6-quinoly…

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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) 2.29 6.64 -42.38 2 2 1 29 213.304 3 ↓
Lo Low (pH 4.5-6) 2.29 7.07 -82.92 3 2 2 31 214.312 3 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(1R,2S)-2-(6-quinolyl)cyclopropyl]methyl]ethanamine 2-methoxy-N-[[(1R,2S)-2-(6-quino…

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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) 1.92 6.62 -40.92 2 3 1 39 257.357 6 ↓
Lo Low (pH 4.5-6) 1.92 7.06 -83.19 3 3 2 40 258.365 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(1S,2S)-2-(6-quinolyl)cyclopropyl]methyl]ethanamine 2-methoxy-N-[[(1S,2S)-2-(6-quino…

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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) 1.92 6.87 -44.63 2 3 1 39 257.357 6 ↓
Lo Low (pH 4.5-6) 1.92 7.3 -79.87 3 3 2 40 258.365 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(1R,2R)-2-(6-quinolyl)cyclopropyl]methyl]ethanamine 2-methoxy-N-[[(1R,2R)-2-(6-quino…

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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) 1.92 6.87 -44.46 2 3 1 39 257.357 6 ↓
Lo Low (pH 4.5-6) 1.92 7.3 -80.48 3 3 2 40 258.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(1S,2R)-2-(6-quinolyl)cyclopropyl]methyl]ethanamine 2-methoxy-N-[[(1S,2R)-2-(6-quino…

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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) 1.92 6.62 -41.19 2 3 1 39 257.357 6 ↓
Lo Low (pH 4.5-6) 1.92 7.06 -83.42 3 3 2 40 258.365 6 ↓

Analogs

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Popular Name: [(1R,2S)-1-(aminomethyl)-2-(6-quinolyl)cyclopropyl]methanol [(1R,2S)-1-(aminomethyl)-2-(6-qu…

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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) 0.25 2.08 -39.75 4 3 1 61 229.303 3 ↓
Lo Low (pH 4.5-6) 0.25 2.51 -88.96 5 3 2 62 230.311 3 ↓

Analogs

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Popular Name: [(1R,2R)-1-(aminomethyl)-2-(6-quinolyl)cyclopropyl]methanol [(1R,2R)-1-(aminomethyl)-2-(6-qu…

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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) 0.25 2.1 -50.86 4 3 1 61 229.303 3 ↓
Lo Low (pH 4.5-6) 0.25 2.53 -88.55 5 3 2 62 230.311 3 ↓

Analogs

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Popular Name: [(1S,2S)-1-(aminomethyl)-2-(6-quinolyl)cyclopropyl]methanol [(1S,2S)-1-(aminomethyl)-2-(6-qu…

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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) 0.25 2.12 -50.48 4 3 1 61 229.303 3 ↓
Lo Low (pH 4.5-6) 0.25 2.56 -88.2 5 3 2 62 230.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-1-(aminomethyl)-2-(6-quinolyl)cyclopropyl]methanol [(1S,2R)-1-(aminomethyl)-2-(6-qu…

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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) 0.25 2.08 -39.73 4 3 1 61 229.303 3 ↓
Lo Low (pH 4.5-6) 0.25 2.51 -89 5 3 2 62 230.311 3 ↓

Parameters Provided:

ring.id = 216350
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 216350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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