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Analogs

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Popular Name: (2R)-N-isopropyl-2-(1-naphthyl)pyrrolidine-1-carboxamide (2R)-N-isopropyl-2-(1-naphthyl)p…

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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) 4.36 9.43 -11.76 1 3 0 32 282.387 2 ↓

Analogs

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Popular Name: (2R)-N-(2-methoxyethyl)-2-(1-naphthyl)pyrrolidine-1-carboxamide (2R)-N-(2-methoxyethyl)-2-(1-nap…

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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) 3.67 7.72 -12.2 1 4 0 42 298.386 4 ↓

Analogs

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Popular Name: (2S)-N-(2-methoxyethyl)-2-(1-naphthyl)pyrrolidine-1-carboxamide (2S)-N-(2-methoxyethyl)-2-(1-nap…

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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) 3.67 7.57 -12.08 1 4 0 42 298.386 4 ↓

Analogs

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Popular Name: [(1R)-1-[(2R)-2-(1-naphthyl)pyrrolidine-1-carbonyl]pentyl]urea [(1R)-1-[(2R)-2-(1-naphthyl)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) 3.80 8.88 -19.83 3 5 0 75 353.466 6 ↓

Analogs

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Popular Name: (3S,5S)-5-(1-naphthyl)pyrrolidin-3-ol (3S,5S)-5-(1-naphthyl)pyrrolidin…

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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) 2.33 4.18 -42.89 3 2 1 37 214.288 1 ↓

Analogs

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Popular Name: (3S,5R)-5-(1-naphthyl)pyrrolidin-3-ol (3S,5R)-5-(1-naphthyl)pyrrolidin…

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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) 2.33 4.19 -42.11 3 2 1 37 214.288 1 ↓

Analogs

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Popular Name: (3R,5S)-5-(1-naphthyl)pyrrolidin-3-ol (3R,5S)-5-(1-naphthyl)pyrrolidin…

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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) 2.33 4.24 -41.46 3 2 1 37 214.288 1 ↓

Analogs

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Popular Name: (3R,5R)-5-(1-naphthyl)pyrrolidin-3-ol (3R,5R)-5-(1-naphthyl)pyrrolidin…

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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) 2.33 4.2 -42.2 3 2 1 37 214.288 1 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-2-(1-naphthyl)pyrrolidin-1-yl]acetamide N-methyl-2-[(2R)-2-(1-naphthyl)p…

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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) 3.09 8.09 -37.56 2 3 1 34 269.368 3 ↓
Hi High (pH 8-9.5) 3.09 6.67 -10.06 1 3 0 32 268.36 3 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-2-(1-naphthyl)pyrrolidin-1-yl]acetamide N-methyl-2-[(2S)-2-(1-naphthyl)p…

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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) 3.09 8.04 -36.5 2 3 1 34 269.368 3 ↓
Hi High (pH 8-9.5) 3.09 6.73 -9.54 1 3 0 32 268.36 3 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-2-[(2R)-2-(1-naphthyl)pyrrolidin-1-yl]acetamide N-(3-methoxypropyl)-2-[(2R)-2-(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) 3.35 7.96 -33.51 2 4 1 43 327.448 7 ↓
Hi High (pH 8-9.5) 3.35 5.89 -9.11 1 4 0 42 326.44 7 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-2-[(2S)-2-(1-naphthyl)pyrrolidin-1-yl]acetamide N-(3-methoxypropyl)-2-[(2S)-2-(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) 3.35 8.71 -37.94 2 4 1 43 327.448 7 ↓
Hi High (pH 8-9.5) 3.35 7.4 -9.59 1 4 0 42 326.44 7 ↓

Analogs

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Popular Name: (2S,3S)-1-methyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-methyl-2-(1-naphthyl)p…

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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) 2.08 5.49 -36.65 3 2 1 31 227.331 1 ↓

Analogs

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Popular Name: (2S,3R)-1-methyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-methyl-2-(1-naphthyl)p…

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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) 2.08 5.53 -44.88 3 2 1 31 227.331 1 ↓

Analogs

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Popular Name: (2S,3S)-2-(2-methoxy-1-naphthyl)-1-methyl-pyrrolidin-3-amine (2S,3S)-2-(2-methoxy-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) 2.09 5.49 -35.26 3 3 1 40 257.357 2 ↓

Analogs

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Popular Name: (2S,3R)-2-(2-methoxy-1-naphthyl)-1-methyl-pyrrolidin-3-amine (2S,3R)-2-(2-methoxy-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) 2.09 4.87 -43.41 3 3 1 40 257.357 2 ↓

Analogs

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Popular Name: (2S,3S)-1-ethyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-ethyl-2-(1-naphthyl)py…

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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 6.32 -36.88 3 2 1 31 241.358 2 ↓
Lo Low (pH 4.5-6) 2.46 7.67 -32.21 3 2 1 30 241.358 2 ↓

Analogs

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Popular Name: (2S,3R)-1-ethyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-ethyl-2-(1-naphthyl)py…

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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 6.33 -45.32 3 2 1 31 241.358 2 ↓
Lo Low (pH 4.5-6) 2.46 7.44 -33.25 3 2 1 30 241.358 2 ↓

Analogs

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Popular Name: (2S,3S)-1-ethyl-2-(2-methoxy-1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-ethyl-2-(2-methoxy-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) 2.46 6.32 -35.35 3 3 1 40 271.384 3 ↓
Lo Low (pH 4.5-6) 2.46 7.62 -27.83 3 3 1 40 271.384 3 ↓

Analogs

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Popular Name: (2S,3R)-1-ethyl-2-(2-methoxy-1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-ethyl-2-(2-methoxy-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) 2.46 5.67 -43.74 3 3 1 40 271.384 3 ↓
Lo Low (pH 4.5-6) 2.46 7.15 -28.43 3 3 1 40 271.384 3 ↓

Analogs

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Popular Name: (2S,3S)-2-(1-naphthyl)-1-propyl-pyrrolidin-3-amine (2S,3S)-2-(1-naphthyl)-1-propyl-…

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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) 2.96 7.07 -37.02 3 2 1 31 255.385 3 ↓
Lo Low (pH 4.5-6) 2.96 8.41 -32.67 3 2 1 30 255.385 3 ↓

Analogs

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Popular Name: (2S,3R)-2-(1-naphthyl)-1-propyl-pyrrolidin-3-amine (2S,3R)-2-(1-naphthyl)-1-propyl-…

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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) 2.96 7.07 -45.41 3 2 1 31 255.385 3 ↓
Lo Low (pH 4.5-6) 2.96 8.18 -33.81 3 2 1 30 255.385 3 ↓

Analogs

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Popular Name: (2S,3S)-2-(2-methoxy-1-naphthyl)-1-propyl-pyrrolidin-3-amine (2S,3S)-2-(2-methoxy-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) 2.97 7.08 -35.41 3 3 1 40 285.411 4 ↓
Lo Low (pH 4.5-6) 2.97 8.36 -28.1 3 3 1 40 285.411 4 ↓

Analogs

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Popular Name: (2S,3R)-2-(2-methoxy-1-naphthyl)-1-propyl-pyrrolidin-3-amine (2S,3R)-2-(2-methoxy-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) 2.97 6.41 -43.82 3 3 1 40 285.411 4 ↓
Lo Low (pH 4.5-6) 2.97 7.89 -28.71 3 3 1 40 285.411 4 ↓

Analogs

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Popular Name: (2S,3S)-1-isopropyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-isopropyl-2-(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) 2.75 6.67 -36.93 3 2 1 31 255.385 2 ↓
Lo Low (pH 4.5-6) 2.75 8 -31.16 3 2 1 30 255.385 2 ↓

Analogs

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Popular Name: (2S,3R)-1-isopropyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-isopropyl-2-(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) 2.75 6.83 -45.25 3 2 1 31 255.385 2 ↓
Lo Low (pH 4.5-6) 2.75 7.78 -32.32 3 2 1 30 255.385 2 ↓

Analogs

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Popular Name: (2S,3S)-1-isopropyl-2-(2-methoxy-1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-isopropyl-2-(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) 2.76 6.58 -35.41 3 3 1 40 285.411 3 ↓
Lo Low (pH 4.5-6) 2.76 7.82 -26.9 3 3 1 40 285.411 3 ↓

Analogs

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Popular Name: (2S,3R)-1-isopropyl-2-(2-methoxy-1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-isopropyl-2-(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) 2.76 6.14 -43.67 3 3 1 40 285.411 3 ↓
Lo Low (pH 4.5-6) 2.76 7.34 -27.56 3 3 1 40 285.411 3 ↓

Analogs

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Popular Name: (2S,3S)-1-tert-butyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-tert-butyl-2-(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) 3.27 7.12 -38.03 3 2 1 31 269.412 2 ↓
Lo Low (pH 4.5-6) 3.27 8.3 -30.39 3 2 1 30 269.412 2 ↓

Analogs

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Popular Name: (2S,3R)-1-tert-butyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-tert-butyl-2-(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) 3.27 6.79 -47.31 3 2 1 31 269.412 2 ↓
Lo Low (pH 4.5-6) 3.27 7.97 -30.86 3 2 1 30 269.412 2 ↓

Analogs

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Popular Name: (2S,3S)-1-isobutyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-isobutyl-2-(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) 3.20 8 -37.4 3 2 1 31 269.412 3 ↓
Lo Low (pH 4.5-6) 3.20 9.08 -32.32 3 2 1 30 269.412 3 ↓

Analogs

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Popular Name: (2S,3R)-1-isobutyl-2-(1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-isobutyl-2-(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) 3.20 8.06 -45.72 3 2 1 31 269.412 3 ↓
Lo Low (pH 4.5-6) 3.20 8.87 -33.21 3 2 1 30 269.412 3 ↓

Analogs

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Popular Name: (2S,3S)-1-(2-methoxyethyl)-2-(1-naphthyl)pyrrolidin-3-amine (2S,3S)-1-(2-methoxyethyl)-2-(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) 2.06 5.4 -38.23 3 3 1 40 271.384 4 ↓

Analogs

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Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(1-naphthyl)pyrrolidin-3-amine (2S,3R)-1-(2-methoxyethyl)-2-(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) 2.06 5.41 -48.23 3 3 1 40 271.384 4 ↓

Analogs

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Popular Name: (2R)-1-methylsulfonyl-2-(1-naphthyl)pyrrolidine (2R)-1-methylsulfonyl-2-(1-napht…

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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 6.62 -13.2 0 3 0 37 275.373 2 ↓

Analogs

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Popular Name: (2S)-1-methylsulfonyl-2-(1-naphthyl)pyrrolidine (2S)-1-methylsulfonyl-2-(1-napht…

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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 6.61 -13.39 0 3 0 37 275.373 2 ↓

Analogs

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Popular Name: (2R)-1-ethylsulfonyl-2-(1-naphthyl)pyrrolidine (2R)-1-ethylsulfonyl-2-(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) 3.24 7.51 -13.05 0 3 0 37 289.4 3 ↓

Analogs

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Popular Name: (2S)-1-ethylsulfonyl-2-(1-naphthyl)pyrrolidine (2S)-1-ethylsulfonyl-2-(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) 3.24 7.51 -13.18 0 3 0 37 289.4 3 ↓

Analogs

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Popular Name: (2R)-N-methoxy-2-(1-naphthyl)pyrrolidine-1-carboxamide (2R)-N-methoxy-2-(1-naphthyl)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) 3.10 8.8 -15.09 1 4 0 42 270.332 2 ↓

Analogs

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Popular Name: (2S)-N-methoxy-2-(1-naphthyl)pyrrolidine-1-carboxamide (2S)-N-methoxy-2-(1-naphthyl)pyr…

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Activity (Go SEA)

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) 3.10 8.64 -14.98 1 4 0 42 270.332 2 ↓

Parameters Provided:

ring.id = 113938
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 = 113938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=113938&filter.purchasability=annotated

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