UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44675493
44675493
44675495
44675495
44675497
44675497
44675499
44675499
44676323
44676323

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]-3-phenyl-cyclobutanamine N-[(1S)-2-methyl-1-(2-thienyl)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) 5.16 11.01 -36.91 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 5.16 10.32 -2.21 1 1 0 12 285.456 5 ↓

Analogs

44674697
44674697
44674699
44674699
44674703
44674703
44675493
44675493
44675495
44675495

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-3-phenyl-cyclobutanamine N-[(1R)-2-methyl-1-(2-thienyl)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) 5.16 10.79 -38.02 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 5.16 9.75 -3.09 1 1 0 12 285.456 5 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(4-fluorophenyl)-N-[(1S)-2-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) 5.32 11.04 -41.28 2 1 1 17 304.454 5 ↓
Hi High (pH 8-9.5) 5.32 10.34 -2.95 1 1 0 12 303.446 5 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(4-fluorophenyl)-N-[(1R)-2-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) 5.32 11.06 -41.21 2 1 1 17 304.454 5 ↓
Hi High (pH 8-9.5) 5.32 9.82 -3.92 1 1 0 12 303.446 5 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(2-chlorophenyl)-N-[(1S)-2-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) 5.32 10.95 -38.33 2 1 1 17 320.909 5 ↓
Hi High (pH 8-9.5) 5.32 10.22 -3.41 1 1 0 12 319.901 5 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(2-chlorophenyl)-N-[(1R)-2-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) 5.32 11.24 -37.57 2 1 1 17 320.909 5 ↓
Hi High (pH 8-9.5) 5.32 10.13 -4.25 1 1 0 12 319.901 5 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-3-(p-tolyl)cyclobutanamine N-[(1R)-2-methyl-1-(2-thienyl)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) 5.61 11.2 -38.31 2 1 1 17 300.491 5 ↓
Hi High (pH 8-9.5) 5.61 10.86 -2.22 1 1 0 12 299.483 5 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]-3-(p-tolyl)cyclobutanamine N-[(1S)-2-methyl-1-(2-thienyl)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) 5.61 11.78 -36.6 2 1 1 17 300.491 5 ↓
Hi High (pH 8-9.5) 5.61 10.52 -3.04 1 1 0 12 299.483 5 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(3-fluorophenyl)-N-[(1S)-2-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) 5.30 10.86 -41.87 2 1 1 17 304.454 5 ↓
Hi High (pH 8-9.5) 5.30 9.79 -3.93 1 1 0 12 303.446 5 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(3-fluorophenyl)-N-[(1R)-2-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) 5.30 10.6 -42.27 2 1 1 17 304.454 5 ↓
Hi High (pH 8-9.5) 5.30 9.82 -4.34 1 1 0 12 303.446 5 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(3-bromophenyl)-N-[(1S)-2-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) 5.94 11.41 -40.68 2 1 1 17 365.36 5 ↓
Hi High (pH 8-9.5) 5.94 10.1 -3.23 1 1 0 12 364.352 5 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(3-bromophenyl)-N-[(1R)-2-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) 5.94 11.14 -41.04 2 1 1 17 365.36 5 ↓
Hi High (pH 8-9.5) 5.94 10.46 -3.26 1 1 0 12 364.352 5 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(2-fluorophenyl)-N-[(1S)-2-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) 4.80 11.04 -35.67 2 1 1 17 304.454 5 ↓
Hi High (pH 8-9.5) 4.80 9.84 -4.5 1 1 0 12 303.446 5 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(2-fluorophenyl)-N-[(1R)-2-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) 4.80 10.83 -38.4 2 1 1 17 304.454 5 ↓
Hi High (pH 8-9.5) 4.80 9.75 -5.35 1 1 0 12 303.446 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(4-chlorophenyl)-N-[(1S)-2-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) 5.84 11.5 -40.17 2 1 1 17 320.909 5 ↓
Hi High (pH 8-9.5) 5.84 10.8 -2.33 1 1 0 12 319.901 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(4-chlorophenyl)-N-[(1R)-2-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) 5.84 11.51 -40.01 2 1 1 17 320.909 5 ↓
Hi High (pH 8-9.5) 5.84 10.27 -3.24 1 1 0 12 319.901 5 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(4-bromophenyl)-N-[(1S)-2-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) 5.97 11.6 -40.22 2 1 1 17 365.36 5 ↓
Hi High (pH 8-9.5) 5.97 10.9 -2.29 1 1 0 12 364.352 5 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(4-bromophenyl)-N-[(1R)-2-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) 5.97 11.62 -40.1 2 1 1 17 365.36 5 ↓
Hi High (pH 8-9.5) 5.97 10.37 -3.22 1 1 0 12 364.352 5 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-3-(m-tolyl)cyclobutanamine N-[(1R)-2-methyl-1-(2-thienyl)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) 5.58 11.65 -36.93 2 1 1 17 300.491 5 ↓
Hi High (pH 8-9.5) 5.58 10.58 -2.44 1 1 0 12 299.483 5 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]-3-(m-tolyl)cyclobutanamine N-[(1S)-2-methyl-1-(2-thienyl)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) 5.58 11.64 -37.15 2 1 1 17 300.491 5 ↓
Hi High (pH 8-9.5) 5.58 10.78 -2.98 1 1 0 12 299.483 5 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(3-chlorophenyl)-N-[(1S)-2-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) 5.81 11.3 -40.72 2 1 1 17 320.909 5 ↓
Hi High (pH 8-9.5) 5.81 10 -3.29 1 1 0 12 319.901 5 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(3-chlorophenyl)-N-[(1R)-2-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) 5.81 11.65 -38.31 2 1 1 17 320.909 5 ↓
Hi High (pH 8-9.5) 5.81 10.35 -3.28 1 1 0 12 319.901 5 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-3-(o-tolyl)cyclobutanamine N-[(1R)-2-methyl-1-(2-thienyl)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) 5.09 11.25 -38.77 2 1 1 17 300.491 5 ↓
Hi High (pH 8-9.5) 5.09 9.99 -2.85 1 1 0 12 299.483 5 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]-3-(o-tolyl)cyclobutanamine N-[(1S)-2-methyl-1-(2-thienyl)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) 5.09 11.36 -38.96 2 1 1 17 300.491 5 ↓
Hi High (pH 8-9.5) 5.09 10.05 -3.1 1 1 0 12 299.483 5 ↓

Analogs

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Popular Name: 3-(2-bromophenyl)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(2-bromophenyl)-N-[(1S)-2-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) 5.45 11.04 -38.28 2 1 1 17 365.36 5 ↓
Hi High (pH 8-9.5) 5.45 10.32 -3.42 1 1 0 12 364.352 5 ↓

Analogs

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Popular Name: 3-(2-bromophenyl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]cyclobutanamine 3-(2-bromophenyl)-N-[(1R)-2-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) 5.45 11.33 -37.56 2 1 1 17 365.36 5 ↓
Hi High (pH 8-9.5) 5.45 10.23 -4.12 1 1 0 12 364.352 5 ↓

Analogs

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Popular Name: (3S)-3-[(3-phenylcyclobutyl)amino]-3-(2-thienyl)propanoic (3S)-3-[(3-phenylcyclobutyl)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) 3.55 10.45 -31.77 2 3 0 57 301.411 6 ↓
Hi High (pH 8-9.5) 3.55 8.96 -44.73 1 3 -1 52 300.403 6 ↓

Analogs

13388884
13388884
13388886
13388886

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Popular Name: (3R)-3-[(3-phenylcyclobutyl)amino]-3-(2-thienyl)propanoic (3R)-3-[(3-phenylcyclobutyl)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) 3.55 10.18 -46.32 2 3 0 57 301.411 6 ↓
Hi High (pH 8-9.5) 3.55 9 -45.21 1 3 -1 52 300.403 6 ↓

Analogs

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Popular Name: 3-phenyl-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-phenyl-N-[(1S)-1-(2-thienyl)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) 4.92 10.52 -36.68 2 1 1 17 272.437 5 ↓
Hi High (pH 8-9.5) 4.92 9.59 -2.36 1 1 0 12 271.429 5 ↓

Analogs

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Popular Name: 3-phenyl-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-phenyl-N-[(1R)-1-(2-thienyl)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) 4.92 10.28 -38.5 2 1 1 17 272.437 5 ↓
Hi High (pH 8-9.5) 4.92 9.07 -3.28 1 1 0 12 271.429 5 ↓

Analogs

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Popular Name: 3-(p-tolyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(p-tolyl)-N-[(1S)-1-(2-thienyl…

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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) 5.36 10.99 -38.43 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 5.36 9.7 -2.83 1 1 0 12 285.456 5 ↓

Analogs

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Popular Name: 3-(p-tolyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(p-tolyl)-N-[(1R)-1-(2-thienyl…

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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) 5.36 10.93 -38.08 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 5.36 9.69 -3.33 1 1 0 12 285.456 5 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(4-fluorophenyl)-N-[(1S)-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) 5.08 10.38 -42.83 2 1 1 17 290.427 5 ↓
Hi High (pH 8-9.5) 5.08 9.09 -3.67 1 1 0 12 289.419 5 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(4-fluorophenyl)-N-[(1R)-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) 5.08 10.32 -41.9 2 1 1 17 290.427 5 ↓
Hi High (pH 8-9.5) 5.08 9.08 -4.17 1 1 0 12 289.419 5 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(4-methoxyphenyl)-N-[(1S)-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) 4.97 9.61 -41.09 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.97 8.33 -4.22 1 2 0 21 301.455 6 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(4-methoxyphenyl)-N-[(1R)-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) 4.97 9.55 -40.24 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.97 8.31 -4.9 1 2 0 21 301.455 6 ↓

Analogs

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Popular Name: 3-(m-tolyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(m-tolyl)-N-[(1S)-1-(2-thienyl…

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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) 5.34 10.99 -38.56 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 5.34 9.69 -2.96 1 1 0 12 285.456 5 ↓

Analogs

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Popular Name: 3-(m-tolyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(m-tolyl)-N-[(1R)-1-(2-thienyl…

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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) 5.34 11.18 -36.85 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 5.34 10.04 -3.24 1 1 0 12 285.456 5 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(3-fluorophenyl)-N-[(1S)-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) 5.05 10.59 -39.76 2 1 1 17 290.427 5 ↓
Hi High (pH 8-9.5) 5.05 9.66 -3.43 1 1 0 12 289.419 5 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(3-fluorophenyl)-N-[(1R)-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) 5.05 10.58 -39.84 2 1 1 17 290.427 5 ↓
Hi High (pH 8-9.5) 5.05 9.44 -4.11 1 1 0 12 289.419 5 ↓

Analogs

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Popular Name: 3-(3-methoxyphenyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(3-methoxyphenyl)-N-[(1S)-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) 4.95 9.61 -40.51 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.95 8.33 -4.82 1 2 0 21 301.455 6 ↓

Analogs

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Popular Name: 3-(3-methoxyphenyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(3-methoxyphenyl)-N-[(1R)-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) 4.95 9.81 -38.27 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.95 8.67 -4.77 1 2 0 21 301.455 6 ↓

Analogs

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Popular Name: 3-(o-tolyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(o-tolyl)-N-[(1S)-1-(2-thienyl…

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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) 4.84 11.04 -37.57 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 4.84 10.12 -2.43 1 1 0 12 285.456 5 ↓

Analogs

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Popular Name: 3-(o-tolyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(o-tolyl)-N-[(1R)-1-(2-thienyl…

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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) 4.84 10.77 -38.62 2 1 1 17 286.464 5 ↓
Hi High (pH 8-9.5) 4.84 9.53 -3.48 1 1 0 12 285.456 5 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(2-fluorophenyl)-N-[(1S)-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) 4.56 10.55 -35.66 2 1 1 17 290.427 5 ↓
Hi High (pH 8-9.5) 4.56 9.63 -3.97 1 1 0 12 289.419 5 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(2-fluorophenyl)-N-[(1R)-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) 4.56 10.31 -38.81 2 1 1 17 290.427 5 ↓
Hi High (pH 8-9.5) 4.56 9.11 -5.61 1 1 0 12 289.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-N-[(1S)-1-(2-thienyl)propyl]cyclobutanamine 3-(2-methoxyphenyl)-N-[(1S)-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) 4.45 9.9 -34.78 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.45 8.97 -4.06 1 2 0 21 301.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-N-[(1R)-1-(2-thienyl)propyl]cyclobutanamine 3-(2-methoxyphenyl)-N-[(1R)-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) 4.45 9.63 -38.79 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.45 8.39 -4.32 1 2 0 21 301.455 6 ↓

Analogs

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Popular Name: 3-phenyl-N-[(1S)-1-(2-thienyl)butyl]cyclobutanamine 3-phenyl-N-[(1S)-1-(2-thienyl)bu…

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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) 5.47 11.27 -37.78 2 1 1 17 286.464 6 ↓
Hi High (pH 8-9.5) 5.47 10.33 -2.26 1 1 0 12 285.456 6 ↓

Analogs

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Popular Name: 3-phenyl-N-[(1R)-1-(2-thienyl)butyl]cyclobutanamine 3-phenyl-N-[(1R)-1-(2-thienyl)bu…

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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) 5.47 10.95 -38.66 2 1 1 17 286.464 6 ↓
Hi High (pH 8-9.5) 5.47 10.16 -3.21 1 1 0 12 285.456 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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