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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentanol (1S,2S)-2-[[cyclopropylmethyl(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) 1.85 5.2 -30.87 2 2 1 25 184.303 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentanol (1S,2R)-2-[[cyclopropylmethyl(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) 1.85 5.04 -33.6 2 2 1 25 184.303 4 ↓

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentanol (1S,2S)-2-[[cyclopropylmethyl(pr…

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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) 2.72 5.98 -30.26 2 2 1 25 212.357 6 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentanol (1S,2R)-2-[[cyclopropylmethyl(pr…

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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) 2.72 6.45 -32.43 2 2 1 25 212.357 6 ↓

Analogs

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Popular Name: (1S,2S)-2-[[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]methyl]cyclopentanol (1S,2S)-2-[[[(1S)-1-cyclopropyle…

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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) 2.16 5.68 -28.45 2 3 1 34 242.383 7 ↓
Hi High (pH 8-9.5) 2.16 3.55 -2.58 1 3 0 33 241.375 7 ↓

Analogs

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Popular Name: (1S,2S)-2-[[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]methyl]cyclopentanol (1S,2S)-2-[[[(1R)-1-cyclopropyle…

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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) 2.16 4.96 -26.97 2 3 1 34 242.383 7 ↓
Hi High (pH 8-9.5) 2.16 3.3 -3.1 1 3 0 33 241.375 7 ↓

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropylmethyl(isopropyl)amino]methyl]cyclopentanol (1S,2S)-2-[[cyclopropylmethyl(is…

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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 6.14 -28.21 2 2 1 25 212.357 5 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclopropylmethyl(isopropyl)amino]methyl]cyclopentanol (1S,2R)-2-[[cyclopropylmethyl(is…

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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 5.61 -31.54 2 2 1 25 212.357 5 ↓

Analogs

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Popular Name: 1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentanecarbaldehyde 1-[[cyclopropylmethyl(ethyl)amin…

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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) 2.89 8.39 -40.41 1 2 1 22 210.341 6 ↓
Hi High (pH 8-9.5) 2.89 6.73 -3.33 0 2 0 20 209.333 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentanamine (1S,2S)-2-[[cyclopropylmethyl(et…

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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) 1.73 6.23 -110.41 4 2 2 32 198.354 5 ↓
Hi High (pH 8-9.5) 1.73 4.18 -42.57 3 2 1 31 197.346 5 ↓
Mid Mid (pH 6-8) 1.73 5.96 -30.63 3 2 1 30 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentanamine (1S,2R)-2-[[cyclopropylmethyl(et…

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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) 1.73 6.33 -104.65 4 2 2 32 198.354 5 ↓
Hi High (pH 8-9.5) 1.73 4.48 -42.14 3 2 1 31 197.346 5 ↓
Mid Mid (pH 6-8) 1.73 6.02 -32.17 3 2 1 30 197.346 5 ↓

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-cyclopentanamine (1S,2S)-2-[[cyclopropylmethyl(et…

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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 7.79 -104.87 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.64 5.73 -36.98 2 2 1 20 211.373 6 ↓
Mid Mid (pH 6-8) 2.64 6.57 -32.54 2 2 1 16 211.373 6 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-cyclopentanamine (1S,2R)-2-[[cyclopropylmethyl(et…

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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 8.06 -101.07 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.64 6.01 -36.98 2 2 1 20 211.373 6 ↓
Mid Mid (pH 6-8) 2.64 6.85 -33.58 2 2 1 16 211.373 6 ↓

Analogs

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Popular Name: (1R,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-cyclopentanamine (1R,2R)-2-[[cyclopropylmethyl(et…

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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 9.26 -104.11 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.02 8.15 -32 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.02 6.58 -35.43 2 2 1 20 225.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-cyclopentanamine (1S,2R)-2-[[cyclopropylmethyl(et…

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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 8.88 -100.05 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.02 7.75 -30.65 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.02 6.21 -34.75 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: (1R,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-cyclopentanamine (1R,2S)-2-[[cyclopropylmethyl(et…

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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 8.68 -100.61 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.02 7.55 -33.58 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.02 6.5 -35.97 2 2 1 20 225.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-cyclopentanamine (1S,2S)-2-[[cyclopropylmethyl(et…

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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 8.62 -104.27 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.02 7.88 -30.27 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.02 6.61 -35.65 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine N-(cyclopropylmethyl)-N-[[1-(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) 2.86 8.93 -100.7 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 2.86 7.83 -30.59 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 2.86 7.45 -35.31 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(cyclopropylmethyl)ethanamine N-[[1-(aminomethyl)cyclopentyl]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) 1.88 6.92 -106.39 4 2 2 32 212.381 6 ↓
Hi High (pH 8-9.5) 1.88 6.55 -31.46 3 2 1 30 211.373 6 ↓
Mid Mid (pH 6-8) 1.88 5.43 -40.65 3 2 1 31 211.373 6 ↓

Analogs

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Popular Name: 1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentanecarboxylic 1-[[cyclopropylmethyl(ethyl)amin…

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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 9.17 -36.9 1 3 0 45 225.332 6 ↓

Analogs

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Popular Name: [1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentyl]methanol [1-[[cyclopropylmethyl(ethyl)ami…

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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 6.21 -33.73 2 2 1 25 212.357 6 ↓

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentanol (1S,2S)-2-[[cyclopropylmethyl(et…

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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) 2.22 5.61 -29.8 2 2 1 25 198.33 5 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentanol (1S,2R)-2-[[cyclopropylmethyl(et…

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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) 2.22 5.7 -31.72 2 2 1 25 198.33 5 ↓

Analogs

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Popular Name: N-[[1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentyl]methyl]-2-methyl-propan-1-amine N-[[1-[[cyclopropylmethyl(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) 3.63 11.02 -96.64 3 2 2 21 268.489 9 ↓
Mid Mid (pH 6-8) 3.63 10 -35.44 2 2 1 20 267.481 9 ↓

Analogs

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Popular Name: N-[[1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine N-[[1-[[cyclopropylmethyl(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) 3.53 10.08 -93.46 3 2 2 21 254.462 8 ↓
Mid Mid (pH 6-8) 3.53 9.05 -33.43 2 2 1 20 253.454 8 ↓

Analogs

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Popular Name: (1R,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-propyl-cyclopentanamine (1R,2R)-2-[[cyclopropylmethyl(et…

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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) 3.52 10.01 -104.73 3 2 2 21 240.435 8 ↓
Hi High (pH 8-9.5) 3.52 8.91 -32.31 2 2 1 16 239.427 8 ↓
Mid Mid (pH 6-8) 3.52 8 -35.88 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-propyl-cyclopentanamine (1S,2R)-2-[[cyclopropylmethyl(et…

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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) 3.52 9.62 -101.16 3 2 2 21 240.435 8 ↓
Hi High (pH 8-9.5) 3.52 8.49 -30.8 2 2 1 16 239.427 8 ↓
Mid Mid (pH 6-8) 3.52 7.62 -36.34 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: (1R,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-propyl-cyclopentanamine (1R,2S)-2-[[cyclopropylmethyl(et…

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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) 3.52 9.45 -102.53 3 2 2 21 240.435 8 ↓
Hi High (pH 8-9.5) 3.52 8.32 -33.71 2 2 1 16 239.427 8 ↓
Mid Mid (pH 6-8) 3.52 7.25 -36.8 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-propyl-cyclopentanamine (1S,2S)-2-[[cyclopropylmethyl(et…

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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) 3.52 9.38 -106.43 3 2 2 21 240.435 8 ↓
Hi High (pH 8-9.5) 3.52 8.65 -30.43 2 2 1 16 239.427 8 ↓
Mid Mid (pH 6-8) 3.52 7.37 -36.49 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N-[[1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentyl]methyl]ethanamine N-[[1-[[cyclopropylmethyl(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) 2.88 9.69 -101.07 3 2 2 21 240.435 8 ↓
Mid Mid (pH 6-8) 2.88 8.22 -33.91 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N-[[1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentyl]methyl]-2-methyl-propan-2-amine N-[[1-[[cyclopropylmethyl(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) 4.04 10.51 -92.5 3 2 2 21 268.489 8 ↓
Mid Mid (pH 6-8) 4.04 9.47 -31.87 2 2 1 20 267.481 8 ↓

Analogs

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Popular Name: N-[[1-[[cyclopropylmethyl(ethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine N-[[1-[[cyclopropylmethyl(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) 3.38 10.45 -102.78 3 2 2 21 254.462 9 ↓
Mid Mid (pH 6-8) 3.38 8.98 -34.64 2 2 1 20 253.454 9 ↓

Analogs

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Popular Name: (1S)-1-cyclopentyl-N-[(1S)-1-(1-methylcyclopropyl)ethyl]ethanamine (1S)-1-cyclopentyl-N-[(1S)-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) 3.37 7.94 -32.01 2 1 1 17 196.358 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopentyl-N-[(1S)-1-(1-methylcyclopropyl)ethyl]ethanamine (1R)-1-cyclopentyl-N-[(1S)-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) 3.37 7.61 -32.25 2 1 1 17 196.358 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopentyl-N-[(1R)-1-(1-methylcyclopropyl)ethyl]ethanamine (1S)-1-cyclopentyl-N-[(1R)-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) 3.37 7.9 -32.22 2 1 1 17 196.358 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopentyl-N-[(1R)-1-(1-methylcyclopropyl)ethyl]ethanamine (1R)-1-cyclopentyl-N-[(1R)-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) 3.37 8.03 -32.09 2 1 1 17 196.358 4 ↓

Parameters Provided:

ring.id = 111308
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 = 111308 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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