UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[2-(2-ethoxyethoxy)-1-naphthyl]methyl]cyclopropanamine N-[[2-(2-ethoxyethoxy)-1-naphthy…

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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 8.6 -32.72 2 3 1 35 286.395 8 ↓

Analogs

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Popular Name: N-[[2-(2-methoxyethoxy)-1-naphthyl]methyl]cyclopropanamine N-[[2-(2-methoxyethoxy)-1-naphth…

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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 7.64 -32.81 2 3 1 35 272.368 7 ↓

Analogs

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Popular Name: 3-[[1-[(cyclopropylamino)methyl]-2-naphthyl]oxy]propanamide 3-[[1-[(cyclopropylamino)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 5.25 -41.28 4 4 1 69 285.367 7 ↓

Analogs

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Popular Name: N-[(2-isobutoxy-1-naphthyl)methyl]cyclopropanamine N-[(2-isobutoxy-1-naphthyl)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) 4.15 9.87 -32.04 2 2 1 26 270.396 6 ↓

Analogs

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Popular Name: N-[(2-pentoxy-1-naphthyl)methyl]cyclopropanamine N-[(2-pentoxy-1-naphthyl)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.97 10.73 -32.16 2 2 1 26 284.423 8 ↓

Analogs

43445156
43445156

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Popular Name: N-[(2-butoxy-1-naphthyl)methyl]cyclopropanamine N-[(2-butoxy-1-naphthyl)methyl]c…

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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) 4.47 9.95 -32 2 2 1 26 270.396 7 ↓

Analogs

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Popular Name: N-[(2-isopentyloxy-1-naphthyl)methyl]cyclopropanamine N-[(2-isopentyloxy-1-naphthyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 10.48 -32.1 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (2S)-2-[[1-[(cyclopropylamino)methyl]-2-naphthyl]oxy]propanamide (2S)-2-[[1-[(cyclopropylamino)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 6.09 -34.99 4 4 1 69 285.367 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[1-[(cyclopropylamino)methyl]-2-naphthyl]oxy]propanamide (2R)-2-[[1-[(cyclopropylamino)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 6.08 -33.93 4 4 1 69 285.367 6 ↓

Analogs

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Popular Name: N-[[2-[(1R)-1-methylpropoxy]-1-naphthyl]methyl]cyclopropanamine N-[[2-[(1R)-1-methylpropoxy]-1-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) 4.27 9.81 -31.89 2 2 1 26 270.396 6 ↓

Analogs

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Popular Name: N-[[2-[(1S)-1-methylpropoxy]-1-naphthyl]methyl]cyclopropanamine N-[[2-[(1S)-1-methylpropoxy]-1-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) 4.27 9.82 -31.56 2 2 1 26 270.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-[(cyclopropylamino)methyl]-2-naphthyl]oxy]ethanol 2-[[1-[(cyclopropylamino)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 5.26 -32.31 3 3 1 46 258.341 6 ↓

Analogs

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Popular Name: 2-[[1-[(cyclopropylamino)methyl]-2-naphthyl]oxy]-N-methyl-acetamide 2-[[1-[(cyclopropylamino)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.96 -35.31 3 4 1 55 285.367 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2,2,2-trifluoroethoxy)-1-naphthyl]methyl]cyclopropanamine N-[[2-(2,2,2-trifluoroethoxy)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 8.84 -34.53 2 2 1 26 296.312 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-dimethylaminoethyloxy)-1-naphthyl]methyl]cyclopropanamine N-[[2-(2-dimethylaminoethyloxy)-…

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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 9.82 -95.46 3 3 2 30 286.419 7 ↓
Hi High (pH 8-9.5) 3.06 7.37 -31.82 2 3 1 29 285.411 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-isopropoxy-1-naphthyl)methyl]cyclopropanamine N-[(2-isopropoxy-1-naphthyl)meth…

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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) 3.77 8.99 -31.76 2 2 1 26 256.369 5 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-ethyl-1-(1-naphthyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-ethyl-1-(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) 2.63 8.3 -123.64 4 2 2 32 256.393 5 ↓
Mid Mid (pH 6-8) 2.63 8.01 -29.86 3 2 1 30 255.385 5 ↓
Mid Mid (pH 6-8) 2.63 5.69 -45.34 3 2 1 31 255.385 5 ↓

Analogs

20283681
20283681
20283685
20283685

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Popular Name: (1S)-N-cyclopropyl-N-ethyl-1-(1-naphthyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-ethyl-1-(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) 2.63 7.85 -123.7 4 2 2 32 256.393 5 ↓
Mid Mid (pH 6-8) 2.63 7.32 -28.95 3 2 1 30 255.385 5 ↓
Mid Mid (pH 6-8) 2.63 6.05 -44.12 3 2 1 31 255.385 5 ↓

Analogs

20283681
20283681
20283685
20283685

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-N-methyl-1-(1-naphthyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-methyl-1-(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) 2.25 7.33 -126.59 4 2 2 32 242.366 4 ↓
Mid Mid (pH 6-8) 2.25 5.71 -47.46 3 2 1 31 241.358 4 ↓
Mid Mid (pH 6-8) 2.25 6.97 -32.69 3 2 1 30 241.358 4 ↓

Analogs

20283681
20283681
20283685
20283685

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-methyl-1-(1-naphthyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-methyl-1-(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) 2.25 8.04 -123.89 4 2 2 32 242.366 4 ↓
Mid Mid (pH 6-8) 2.25 5.97 -47.84 3 2 1 31 241.358 4 ↓
Mid Mid (pH 6-8) 2.25 8.01 -30.4 3 2 1 30 241.358 4 ↓

Analogs

20283681
20283681
20283685
20283685

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-1-(1-naphthyl)-N-propyl-ethane-1,2-diamine (1R)-N-cyclopropyl-1-(1-naphthyl…

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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 9.13 -118.95 4 2 2 32 270.42 6 ↓
Mid Mid (pH 6-8) 3.13 8.74 -28.44 3 2 1 30 269.412 6 ↓
Mid Mid (pH 6-8) 3.13 7.58 -45.07 3 2 1 31 269.412 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-1-(1-naphthyl)-N-propyl-ethane-1,2-diamine (1S)-N-cyclopropyl-1-(1-naphthyl…

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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 8.6 -125.92 4 2 2 32 270.42 6 ↓
Mid Mid (pH 6-8) 3.13 9.11 -29.72 3 2 1 30 269.412 6 ↓
Mid Mid (pH 6-8) 3.13 6.97 -46.62 3 2 1 31 269.412 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(1-naphthyl)propanoic (2R)-2-(cyclopropylamino)-2-(1-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) 2.90 8.8 -31.93 2 3 0 57 255.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-(1-naphthyl)propanoic (2S)-2-(cyclopropylamino)-2-(1-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) 2.90 8.78 -32 2 3 0 57 255.317 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(2-methoxy-1-naphthyl)acetic (2S)-2-(cyclopropylamino)-2-(2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 8.68 -32.78 2 4 0 66 271.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(2-methoxy-1-naphthyl)acetic (2R)-2-(cyclopropylamino)-2-(2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 8.38 -31.31 2 4 0 66 271.316 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(1-naphthyl)acetic (2S)-2-(cyclopropylamino)-2-(1-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) 2.45 8.8 -33.6 2 3 0 57 241.29 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(1-naphthyl)acetic (2R)-2-(cyclopropylamino)-2-(1-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) 2.45 8.66 -32.22 2 3 0 57 241.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-N-ethyl-1-(2-methoxy-1-naphthyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-ethyl-1-(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) 2.64 7.86 -117.17 4 3 2 41 286.419 6 ↓
Mid Mid (pH 6-8) 2.64 7.52 -26.92 3 3 1 40 285.411 6 ↓
Mid Mid (pH 6-8) 2.64 6.5 -43.05 3 3 1 40 285.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-ethyl-1-(2-methoxy-1-naphthyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-ethyl-1-(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) 2.64 7.82 -113.12 4 3 2 41 286.419 6 ↓
Mid Mid (pH 6-8) 2.64 8.36 -24.32 3 3 1 40 285.411 6 ↓
Mid Mid (pH 6-8) 2.64 6.41 -43.15 3 3 1 40 285.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-1-(2-methoxy-1-naphthyl)-N-methyl-ethane-1,2-diamine (1R)-N-cyclopropyl-1-(2-methoxy-…

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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) 2.26 7.25 -117.96 4 3 2 41 272.392 5 ↓
Mid Mid (pH 6-8) 2.26 5.79 -43.53 3 3 1 40 271.384 5 ↓
Mid Mid (pH 6-8) 2.26 6.88 -28.22 3 3 1 40 271.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-1-(2-methoxy-1-naphthyl)-N-methyl-ethane-1,2-diamine (1S)-N-cyclopropyl-1-(2-methoxy-…

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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) 2.26 7.87 -116.45 4 3 2 41 272.392 5 ↓
Mid Mid (pH 6-8) 2.26 5.86 -43.21 3 3 1 40 271.384 5 ↓
Mid Mid (pH 6-8) 2.26 7.88 -25.43 3 3 1 40 271.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-(2-methoxy-1-naphthyl)acetonitrile (2S)-2-(cyclopropylamino)-2-(2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 7.03 -7.25 1 3 0 45 252.317 4 ↓
Mid Mid (pH 6-8) 3.00 8.08 -36.85 2 3 1 50 253.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(2-methoxy-1-naphthyl)acetonitrile (2R)-2-(cyclopropylamino)-2-(2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 7.17 -8.09 1 3 0 45 252.317 4 ↓
Mid Mid (pH 6-8) 3.00 8.08 -36.84 2 3 1 50 253.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-(1-naphthyl)propan-1-ol (2S)-2-(cyclopropylamino)-2-(1-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) 3.02 5.7 -34.12 3 2 1 37 242.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(1-naphthyl)propan-1-ol (2R)-2-(cyclopropylamino)-2-(1-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) 3.02 5.7 -34.17 3 2 1 37 242.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-(1-naphthyl)ethanol (2S)-2-(cyclopropylamino)-2-(1-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) 2.57 5.59 -36.22 3 2 1 37 228.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-(1-naphthyl)ethanol (2R)-2-(cyclopropylamino)-2-(1-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) 2.57 5.54 -36.7 3 2 1 37 228.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-(2-methoxy-1-naphthyl)ethanol (2S)-2-(cyclopropylamino)-2-(2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 6.44 -30.24 3 3 1 46 258.341 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(2-methoxy-1-naphthyl)ethanol (2R)-2-(cyclopropylamino)-2-(2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 6.42 -30.56 3 3 1 46 258.341 5 ↓

Analogs

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Popular Name: ethyl 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) 3.50 11.56 -36.8 1 3 1 31 284.379 7 ↓
Hi High (pH 8-9.5) 3.50 9.68 -7.78 0 3 0 30 283.371 7 ↓

Parameters Provided:

ring.id = 19660
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 = 19660 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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