UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.64 4.76 -38.87 2 5 1 55 285.408 8 ↓
Mid Mid (pH 6-8) 1.64 3.34 -4.47 1 5 0 51 284.4 8 ↓
Lo Low (pH 4.5-6) 1.64 5.43 -36.07 2 5 1 52 285.408 8 ↓

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) 1.64 4.78 -38.83 2 5 1 55 285.408 8 ↓
Mid Mid (pH 6-8) 1.64 3.24 -5.68 1 5 0 51 284.4 8 ↓
Lo Low (pH 4.5-6) 1.64 5.33 -40.85 2 5 1 52 285.408 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(3,3-dimethylmorpholin-4-yl)butanamide (2S)-2-(cyclopropylamino)-4-(3,3…

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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) 0.70 -1.03 -7.1 3 5 0 68 255.362 6 ↓
Mid Mid (pH 6-8) 0.70 1.08 -40.85 4 5 1 69 256.37 6 ↓
Mid Mid (pH 6-8) 0.70 -0.1 -39.8 4 5 1 72 256.37 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(3,3-dimethylmorpholin-4-yl)butanamide (2R)-2-(cyclopropylamino)-4-(3,3…

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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) 0.70 -1.09 -9.53 3 5 0 68 255.362 6 ↓
Mid Mid (pH 6-8) 0.70 1.03 -46.06 4 5 1 69 256.37 6 ↓
Mid Mid (pH 6-8) 0.70 -0.1 -40.26 4 5 1 72 256.37 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(3,3-dimethylmorpholin-4-yl)butanoic (2S)-2-(cyclopropylamino)-4-(3,3…

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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) -0.80 3.73 -33.19 2 5 0 69 256.346 6 ↓
Mid Mid (pH 6-8) -0.80 5.91 -74.56 3 5 1 70 257.354 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(3,3-dimethylmorpholin-4-yl)butanoic (2R)-2-(cyclopropylamino)-4-(3,3…

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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) -0.80 3.79 -33.78 2 5 0 69 256.346 6 ↓
Mid Mid (pH 6-8) -0.80 5.82 -74.5 3 5 1 70 257.354 6 ↓

Analogs

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Popular Name: methyl 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) 1.27 3.86 -39.05 2 5 1 55 271.381 7 ↓
Mid Mid (pH 6-8) 1.27 5.85 -110.26 3 5 2 57 272.389 7 ↓
Mid Mid (pH 6-8) 1.27 2.31 -5.9 1 5 0 51 270.373 7 ↓

Analogs

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Popular Name: methyl 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) 1.27 3.83 -39.24 2 5 1 55 271.381 7 ↓
Mid Mid (pH 6-8) 1.27 2.41 -4.61 1 5 0 51 270.373 7 ↓
Mid Mid (pH 6-8) 1.27 5.85 -110.58 3 5 2 57 272.389 7 ↓

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) 2.06 5.98 -38.44 2 5 1 55 299.435 9 ↓
Mid Mid (pH 6-8) 2.06 6.34 -42.11 2 5 1 52 299.435 9 ↓
Mid Mid (pH 6-8) 2.06 4.5 -5.61 1 5 0 51 298.427 9 ↓

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) 2.06 5.04 -39.13 2 5 1 55 299.435 9 ↓
Mid Mid (pH 6-8) 2.06 4.24 -5.9 1 5 0 51 298.427 9 ↓
Mid Mid (pH 6-8) 2.06 6.4 -42.71 2 5 1 52 299.435 9 ↓

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) 2.06 5.71 -38.52 2 5 1 55 299.435 9 ↓
Mid Mid (pH 6-8) 2.06 7.92 -105.95 3 5 2 57 300.443 9 ↓
Mid Mid (pH 6-8) 2.06 4.22 -5.72 1 5 0 51 298.427 9 ↓

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) 2.06 5.32 -39 2 5 1 55 299.435 9 ↓
Mid Mid (pH 6-8) 2.06 4.51 -5.67 1 5 0 51 298.427 9 ↓
Mid Mid (pH 6-8) 2.06 6.36 -42.28 2 5 1 52 299.435 9 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(2R…

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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) 1.12 0.27 -7.12 3 5 0 68 269.389 7 ↓
Mid Mid (pH 6-8) 1.12 1.19 -39.74 4 5 1 72 270.397 7 ↓
Mid Mid (pH 6-8) 1.12 2.11 -41.37 4 5 1 69 270.397 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(2R…

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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) 1.12 0.02 -7.22 3 5 0 68 269.389 7 ↓
Mid Mid (pH 6-8) 1.12 0.93 -40.44 4 5 1 72 270.397 7 ↓
Mid Mid (pH 6-8) 1.12 2.18 -42.06 4 5 1 69 270.397 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(2S…

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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) 1.12 -0.01 -7.28 3 5 0 68 269.389 7 ↓
Mid Mid (pH 6-8) 1.12 2.16 -42.11 4 5 1 69 270.397 7 ↓
Mid Mid (pH 6-8) 1.12 0.91 -39.77 4 5 1 72 270.397 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(2S…

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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) 1.12 0.29 -6.97 3 5 0 68 269.389 7 ↓
Mid Mid (pH 6-8) 1.12 1.21 -40.34 4 5 1 72 270.397 7 ↓
Mid Mid (pH 6-8) 1.12 2.14 -41.63 4 5 1 69 270.397 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]butanoic (2S)-2-(cyclopropylamino)-4-[(2R…

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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) -0.38 5.11 -34.34 2 5 0 69 270.373 7 ↓
Mid Mid (pH 6-8) -0.38 6.96 -78.7 3 5 1 70 271.381 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]butanoic (2S)-2-(cyclopropylamino)-4-[(2R…

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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) -0.38 4.85 -34.82 2 5 0 69 270.373 7 ↓
Mid Mid (pH 6-8) -0.38 7.01 -78.81 3 5 1 70 271.381 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]butanoic (2S)-2-(cyclopropylamino)-4-[(2S…

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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) -0.38 4.84 -34.62 2 5 0 69 270.373 7 ↓
Mid Mid (pH 6-8) -0.38 7 -78.8 3 5 1 70 271.381 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]butanoic (2S)-2-(cyclopropylamino)-4-[(2S…

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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) -0.38 5.13 -34.74 2 5 0 69 270.373 7 ↓
Mid Mid (pH 6-8) -0.38 6.98 -78.26 3 5 1 70 271.381 7 ↓

Analogs

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Popular Name: methyl 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) 1.69 5.1 -38.82 2 5 1 55 285.408 8 ↓
Mid Mid (pH 6-8) 1.69 4.23 -4.57 1 5 0 51 284.4 8 ↓
Mid Mid (pH 6-8) 1.69 6.95 -105.53 3 5 2 57 286.416 8 ↓

Analogs

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Popular Name: methyl 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) 1.69 4.83 -39.24 2 5 1 55 285.408 8 ↓
Mid Mid (pH 6-8) 1.69 3.96 -4.61 1 5 0 51 284.4 8 ↓
Mid Mid (pH 6-8) 1.69 6.35 -110.89 3 5 2 57 286.416 8 ↓

Analogs

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Popular Name: methyl 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) 1.69 4.82 -38.91 2 5 1 55 285.408 8 ↓
Mid Mid (pH 6-8) 1.69 6.99 -105.95 3 5 2 57 286.416 8 ↓
Mid Mid (pH 6-8) 1.69 3.95 -4.74 1 5 0 51 284.4 8 ↓

Analogs

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Popular Name: methyl 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) 1.69 5.11 -39.29 2 5 1 55 285.408 8 ↓
Mid Mid (pH 6-8) 1.69 6.32 -110.3 3 5 2 57 286.416 8 ↓
Mid Mid (pH 6-8) 1.69 4.24 -4.31 1 5 0 51 284.4 8 ↓

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) 2.01 6.19 -39.26 2 5 1 55 299.435 8 ↓
Mid Mid (pH 6-8) 2.01 4.77 -4.62 1 5 0 51 298.427 8 ↓
Lo Low (pH 4.5-6) 2.01 6.72 -39.49 2 5 1 52 299.435 8 ↓

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) 2.01 6.18 -38.7 2 5 1 55 299.435 8 ↓
Mid Mid (pH 6-8) 2.01 4.64 -5.91 1 5 0 51 298.427 8 ↓
Lo Low (pH 4.5-6) 2.01 6.59 -44.91 2 5 1 52 299.435 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(6R)-2,2,6-trimethylmorpholin-4-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(6R…

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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) 1.06 0.41 -7.32 3 5 0 68 269.389 6 ↓
Mid Mid (pH 6-8) 1.06 1.32 -40.3 4 5 1 72 270.397 6 ↓
Mid Mid (pH 6-8) 1.06 2.36 -43.67 4 5 1 69 270.397 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(6S…

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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) 1.06 0.4 -7.35 3 5 0 68 269.389 6 ↓
Mid Mid (pH 6-8) 1.06 1.31 -39.8 4 5 1 72 270.397 6 ↓
Mid Mid (pH 6-8) 1.06 2.36 -43.91 4 5 1 69 270.397 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(6R)-2,2,6-trimethylmorpholin-4-yl]butanoic (2S)-2-(cyclopropylamino)-4-[(6R…

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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) -0.44 5.18 -34.91 2 5 0 69 270.373 6 ↓
Mid Mid (pH 6-8) -0.44 7.13 -81.81 3 5 1 70 271.381 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(6S)-2,2,6-trimethylmorpholin-4-yl]butanoic (2S)-2-(cyclopropylamino)-4-[(6S…

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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) -0.44 5.18 -34.34 2 5 0 69 270.373 6 ↓
Mid Mid (pH 6-8) -0.44 7.14 -81.22 3 5 1 70 271.381 6 ↓

Analogs

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Popular Name: methyl 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) 1.63 5.24 -39.27 2 5 1 55 285.408 7 ↓
Mid Mid (pH 6-8) 1.63 4.35 -4.65 1 5 0 51 284.4 7 ↓
Mid Mid (pH 6-8) 1.63 7.19 -108.41 3 5 2 57 286.416 7 ↓

Analogs

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Popular Name: methyl 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) 1.63 5.23 -38.94 2 5 1 55 285.408 7 ↓
Mid Mid (pH 6-8) 1.63 7.19 -107.93 3 5 2 57 286.416 7 ↓
Mid Mid (pH 6-8) 1.63 4.35 -4.89 1 5 0 51 284.4 7 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-morpholino-propyl]cyclopropanamine N-[(2S)-2-methyl-3-morpholino-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) 1.08 3.21 -36.95 2 3 1 29 199.318 5 ↓
Mid Mid (pH 6-8) 1.08 5.24 -99.35 3 3 2 30 200.326 5 ↓

Analogs

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Popular Name: N-[(2R)-2-methyl-3-morpholino-propyl]cyclopropanamine N-[(2R)-2-methyl-3-morpholino-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) 1.08 3.21 -37.06 2 3 1 29 199.318 5 ↓
Mid Mid (pH 6-8) 1.08 5.22 -99.21 3 3 2 30 200.326 5 ↓

Analogs

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Popular Name: N-[(3S)-3-morpholinobutyl]cyclopropanamine N-[(3S)-3-morpholinobutyl]cyclop…

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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 2.99 -36.98 2 3 1 29 199.318 5 ↓
Mid Mid (pH 6-8) 0.94 4.82 -103.85 3 3 2 30 200.326 5 ↓

Analogs

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Popular Name: N-[(3R)-3-morpholinobutyl]cyclopropanamine N-[(3R)-3-morpholinobutyl]cyclop…

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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 2.93 -36.95 2 3 1 29 199.318 5 ↓
Mid Mid (pH 6-8) 0.94 4.84 -104.23 3 3 2 30 200.326 5 ↓

Analogs

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Popular Name: N-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]cyclopropanamine N-[(2S)-3-[(2S,6R)-2,6-dimethylm…

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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) 1.81 4.86 -37.29 2 3 1 29 227.372 5 ↓
Mid Mid (pH 6-8) 1.81 6.72 -101.45 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-[(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]cyclopropanamine N-[(2S)-3-[(2S,6S)-2,6-dimethylm…

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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) 1.81 5.15 -37.17 2 3 1 29 227.372 5 ↓
Mid Mid (pH 6-8) 1.81 6.68 -100.96 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-[(2S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]cyclopropanamine N-[(2S)-3-[(2R,6R)-2,6-dimethylm…

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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) 1.81 5 -37.33 2 3 1 29 227.372 5 ↓
Mid Mid (pH 6-8) 1.81 6.68 -101.09 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine N-[(3S)-3-[(2S,6R)-2,6-dimethylm…

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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) 1.67 4.4 -37.58 2 3 1 29 227.372 5 ↓
Mid Mid (pH 6-8) 1.67 6.32 -106.4 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-[(3S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine N-[(3S)-3-[(2S,6S)-2,6-dimethylm…

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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) 1.67 4.68 -37.93 2 3 1 29 227.372 5 ↓
Mid Mid (pH 6-8) 1.67 6.29 -105.58 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-[(3S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine N-[(3S)-3-[(2R,6R)-2,6-dimethylm…

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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) 1.67 4.68 -37.87 2 3 1 29 227.372 5 ↓
Mid Mid (pH 6-8) 1.67 6.3 -105.16 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-[(2R)-2-methylmorpholin-4-yl]propyl]cyclopropanamine N-[(2S)-2-methyl-3-[(2R)-2-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) 1.45 4.11 -37.16 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.45 5.98 -100.51 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-[(2S)-2-methylmorpholin-4-yl]propyl]cyclopropanamine N-[(2S)-2-methyl-3-[(2S)-2-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) 1.45 3.98 -37.21 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.45 5.99 -100.5 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(3S)-3-[(2R)-2-methylmorpholin-4-yl]butyl]cyclopropanamine N-[(3S)-3-[(2R)-2-methylmorpholi…

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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 3.65 -37.4 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.30 5.59 -105.1 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(3S)-3-[(2S)-2-methylmorpholin-4-yl]butyl]cyclopropanamine N-[(3S)-3-[(2S)-2-methylmorpholi…

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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 3.67 -37.23 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.30 5.58 -105.07 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-[(3R)-3-methylmorpholin-4-yl]propyl]cyclopropanamine N-[(2S)-2-methyl-3-[(3R)-3-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) 1.42 3.87 -35.98 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.42 5.72 -102.5 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-[(3S)-3-methylmorpholin-4-yl]propyl]cyclopropanamine N-[(2S)-2-methyl-3-[(3S)-3-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) 1.42 3.82 -37.14 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.42 5.74 -98.12 3 3 2 30 214.353 5 ↓

Analogs

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Popular Name: N-[(3S)-3-[(3R)-3-methylmorpholin-4-yl]butyl]cyclopropanamine N-[(3S)-3-[(3R)-3-methylmorpholi…

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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) 1.27 2.96 -37.17 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.27 4.86 -97.99 3 3 2 30 214.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-[(3S)-3-methylmorpholin-4-yl]butyl]cyclopropanamine N-[(3S)-3-[(3S)-3-methylmorpholi…

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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) 1.27 3.49 -37.36 2 3 1 29 213.345 5 ↓
Mid Mid (pH 6-8) 1.27 5.34 -102.29 3 3 2 30 214.353 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 102393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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