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Analogs

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Popular Name: (2S)-1-indolin-1-yl-3-phenyl-propan-2-amine (2S)-1-indolin-1-yl-3-phenyl-pro…

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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) 2.70 -3.58 -45.17 3 2 1 31 253.369 4 ↓

Analogs

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Popular Name: (1S)-3-indolin-1-yl-N-methyl-1-phenyl-propan-1-amine (1S)-3-indolin-1-yl-N-methyl-1-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) 2.77 10.13 -44.67 2 2 1 20 267.396 5 ↓
Hi High (pH 8-9.5) 2.77 9.02 -4.56 1 2 0 15 266.388 5 ↓

Analogs

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Popular Name: (1R)-3-indolin-1-yl-N-methyl-1-phenyl-propan-1-amine (1R)-3-indolin-1-yl-N-methyl-1-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) 2.77 10.17 -44 2 2 1 20 267.396 5 ↓
Hi High (pH 8-9.5) 2.77 9.03 -3.97 1 2 0 15 266.388 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-3-indolin-1-yl-1-phenyl-propan-1-amine (1S)-N-ethyl-3-indolin-1-yl-1-ph…

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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) 3.14 10.97 -42.88 2 2 1 20 281.423 6 ↓

Analogs

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Popular Name: (1R)-N-ethyl-3-indolin-1-yl-1-phenyl-propan-1-amine (1R)-N-ethyl-3-indolin-1-yl-1-ph…

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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) 3.14 11 -42.27 2 2 1 20 281.423 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-3-[(2R)-2-methylindolin-1-yl]-1-phenyl-propan-1-amine (1S)-N-methyl-3-[(2R)-2-methylin…

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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 10.68 -44.12 2 2 1 20 281.423 5 ↓
Hi High (pH 8-9.5) 3.10 9.59 -3.79 1 2 0 15 280.415 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-3-[(2S)-2-methylindolin-1-yl]-1-phenyl-propan-1-amine (1S)-N-methyl-3-[(2S)-2-methylin…

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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 10.77 -44.03 2 2 1 20 281.423 5 ↓
Hi High (pH 8-9.5) 3.10 9.67 -3.82 1 2 0 15 280.415 5 ↓

Analogs

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Popular Name: (1S)-3-[(2R)-2-methylindolin-1-yl]-1-phenyl-propan-1-ol (1S)-3-[(2R)-2-methylindolin-1-y…

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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) 3.45 8.53 -5.13 1 2 0 23 267.372 4 ↓
Lo Low (pH 4.5-6) 3.45 8.7 -32.12 2 2 1 25 268.38 4 ↓

Analogs

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Popular Name: (1S)-3-[(2S)-2-methylindolin-1-yl]-1-phenyl-propan-1-ol (1S)-3-[(2S)-2-methylindolin-1-y…

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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) 3.45 8.61 -5.18 1 2 0 23 267.372 4 ↓
Lo Low (pH 4.5-6) 3.45 8.52 -33.23 2 2 1 25 268.38 4 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-3-indolin-1-yl-propan-1-amine (1S)-1-(4-bromophenyl)-3-indolin…

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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) 2.23 9.06 -55.81 3 2 1 31 332.265 4 ↓
Hi High (pH 8-9.5) 2.23 8.72 -5.2 2 2 0 29 331.257 4 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-3-indolin-1-yl-propan-1-amine (1R)-1-(4-bromophenyl)-3-indolin…

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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) 2.23 9.07 -55.26 3 2 1 31 332.265 4 ↓
Hi High (pH 8-9.5) 2.23 8.76 -4.42 2 2 0 29 331.257 4 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-3-indolin-1-yl-N-methyl-propan-1-amine (1S)-1-(4-bromophenyl)-3-indolin…

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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) 3.58 10.76 -49.46 2 2 1 20 346.292 5 ↓
Hi High (pH 8-9.5) 3.58 9.64 -4.56 1 2 0 15 345.284 5 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-3-indolin-1-yl-N-methyl-propan-1-amine (1R)-1-(4-bromophenyl)-3-indolin…

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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) 3.58 10.79 -48.84 2 2 1 20 346.292 5 ↓
Hi High (pH 8-9.5) 3.58 9.66 -4.16 1 2 0 15 345.284 5 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-3-indolin-1-yl-propan-1-amine (1S)-1-(3-bromophenyl)-3-indolin…

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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) 2.20 9.05 -55.15 3 2 1 31 332.265 4 ↓
Hi High (pH 8-9.5) 2.20 8.71 -5.39 2 2 0 29 331.257 4 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-3-indolin-1-yl-propan-1-amine (1R)-1-(3-bromophenyl)-3-indolin…

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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) 2.20 9.06 -54.33 3 2 1 31 332.265 4 ↓
Hi High (pH 8-9.5) 2.20 8.75 -4.27 2 2 0 29 331.257 4 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-3-indolin-1-yl-N-methyl-propan-1-amine (1S)-1-(3-bromophenyl)-3-indolin…

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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 10.75 -48.74 2 2 1 20 346.292 5 ↓
Hi High (pH 8-9.5) 3.55 9.63 -4.84 1 2 0 15 345.284 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-3-indolin-1-yl-N-methyl-propan-1-amine (1R)-1-(3-bromophenyl)-3-indolin…

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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 10.78 -47.85 2 2 1 20 346.292 5 ↓
Hi High (pH 8-9.5) 3.55 9.65 -4.55 1 2 0 15 345.284 5 ↓

Analogs

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Popular Name: (1R)-3-indolin-1-yl-1-(p-tolyl)propan-1-amine (1R)-3-indolin-1-yl-1-(p-tolyl)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) 1.87 9.12 -50.13 3 2 1 31 267.396 4 ↓
Hi High (pH 8-9.5) 1.87 8.81 -4.23 2 2 0 29 266.388 4 ↓

Analogs

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Popular Name: (1S)-3-indolin-1-yl-1-(p-tolyl)propan-1-amine (1S)-3-indolin-1-yl-1-(p-tolyl)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) 1.87 9.11 -50.76 3 2 1 31 267.396 4 ↓
Hi High (pH 8-9.5) 1.87 8.77 -5.18 2 2 0 29 266.388 4 ↓

Analogs

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Popular Name: (1R)-3-indolin-1-yl-N-methyl-1-(p-tolyl)propan-1-amine (1R)-3-indolin-1-yl-N-methyl-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) 3.22 10.85 -44.08 2 2 1 20 281.423 5 ↓

Analogs

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Popular Name: (1S)-3-indolin-1-yl-N-methyl-1-(p-tolyl)propan-1-amine (1S)-3-indolin-1-yl-N-methyl-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) 3.22 10.81 -44.69 2 2 1 20 281.423 5 ↓

Analogs

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Popular Name: (1S,2S)-3-indolin-1-yl-2-methyl-1-phenyl-propan-1-amine (1S,2S)-3-indolin-1-yl-2-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) 1.89 8.6 -51.32 3 2 1 31 267.396 4 ↓
Hi High (pH 8-9.5) 1.89 8.27 -4.6 2 2 0 29 266.388 4 ↓

Analogs

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Popular Name: (1S,2R)-3-indolin-1-yl-2-methyl-1-phenyl-propan-1-amine (1S,2R)-3-indolin-1-yl-2-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) 1.89 8.78 -50.31 3 2 1 31 267.396 4 ↓
Hi High (pH 8-9.5) 1.89 8.46 -4.75 2 2 0 29 266.388 4 ↓

Analogs

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Popular Name: (1S,2S)-3-indolin-1-yl-N,2-dimethyl-1-phenyl-propan-1-amine (1S,2S)-3-indolin-1-yl-N,2-dimet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.15 10.35 -44.84 2 2 1 20 281.423 5 ↓

Analogs

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Popular Name: (1S,2R)-3-indolin-1-yl-N,2-dimethyl-1-phenyl-propan-1-amine (1S,2R)-3-indolin-1-yl-N,2-dimet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.15 10.46 -40.9 2 2 1 20 281.423 5 ↓

Analogs

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Popular Name: (1R)-3-[(2S)-2-methylindolin-1-yl]-1-(p-tolyl)propan-1-amine (1R)-3-[(2S)-2-methylindolin-1-y…

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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) 2.20 9.77 -51.1 3 2 1 31 281.423 4 ↓
Hi High (pH 8-9.5) 2.20 9.44 -4.9 2 2 0 29 280.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-[(2S)-2-methylindolin-1-yl]-1-(p-tolyl)propan-1-amine (1S)-3-[(2S)-2-methylindolin-1-y…

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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) 2.20 9.77 -50.22 3 2 1 31 281.423 4 ↓
Hi High (pH 8-9.5) 2.20 9.47 -3.99 2 2 0 29 280.415 4 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-3-[(2R)-2-methylindolin-1-yl]-1-phenyl-propan-1-amine (1S,2R)-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) 2.22 9.17 -50.09 3 2 1 31 281.423 4 ↓
Hi High (pH 8-9.5) 2.22 8.86 -4.21 2 2 0 29 280.415 4 ↓
Lo Low (pH 4.5-6) 2.22 9.18 -28.46 3 2 1 30 281.423 4 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-3-[(2S)-2-methylindolin-1-yl]-1-phenyl-propan-1-amine (1S,2R)-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) 2.22 9.27 -50 3 2 1 31 281.423 4 ↓
Hi High (pH 8-9.5) 2.22 8.94 -4.19 2 2 0 29 280.415 4 ↓
Lo Low (pH 4.5-6) 2.22 9.5 -114.65 4 2 2 32 282.431 4 ↓

Analogs

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Popular Name: (1R)-3-indolin-1-yl-2,2-dimethyl-1-phenyl-propan-1-amine (1R)-3-indolin-1-yl-2,2-dimethyl…

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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) 2.31 8.95 -50.75 3 2 1 31 281.423 4 ↓
Hi High (pH 8-9.5) 2.31 8.66 -3.4 2 2 0 29 280.415 4 ↓

Analogs

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Popular Name: (1S)-3-indolin-1-yl-2,2-dimethyl-1-phenyl-propan-1-amine (1S)-3-indolin-1-yl-2,2-dimethyl…

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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) 2.31 8.98 -50 3 2 1 31 281.423 4 ↓
Hi High (pH 8-9.5) 2.31 8.63 -4 2 2 0 29 280.415 4 ↓

Analogs

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Popular Name: (1R)-3-indolin-1-yl-2,2-dimethyl-1-phenyl-propan-1-ol (1R)-3-indolin-1-yl-2,2-dimethyl…

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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) 4.00 8.64 -4.55 1 2 0 23 281.399 4 ↓
Lo Low (pH 4.5-6) 4.00 8.96 -32.68 2 2 1 25 282.407 4 ↓

Analogs

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Popular Name: (1S)-3-indolin-1-yl-2,2-dimethyl-1-phenyl-propan-1-ol (1S)-3-indolin-1-yl-2,2-dimethyl…

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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) 4.00 8.63 -4.4 1 2 0 23 281.399 4 ↓
Lo Low (pH 4.5-6) 4.00 9.09 -32.47 2 2 1 25 282.407 4 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-2-methylindolin-1-yl]-3-phenyl-propan-2-amine (2R)-1-[(2R)-2-methylindolin-1-y…

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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) 3.03 9.25 -41.22 3 2 1 31 267.396 4 ↓
Hi High (pH 8-9.5) 3.03 8.83 -4.1 2 2 0 29 266.388 4 ↓

Analogs

28459390
28459390

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Popular Name: (2R)-1-[(2S)-2-methylindolin-1-yl]-3-phenyl-propan-2-amine (2R)-1-[(2S)-2-methylindolin-1-y…

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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) 3.03 9.37 -45.05 3 2 1 31 267.396 4 ↓
Hi High (pH 8-9.5) 3.03 8.99 -4.41 2 2 0 29 266.388 4 ↓

Analogs

19265684
19265684
19265686
19265686

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Popular Name: (1S)-3-[(2R)-2-methylindolin-1-yl]-1-phenyl-propan-1-amine (1S)-3-[(2R)-2-methylindolin-1-y…

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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) 1.75 8.99 -50.13 3 2 1 31 267.396 4 ↓

Analogs

19265684
19265684
19265686
19265686

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Popular Name: (1S)-3-[(2S)-2-methylindolin-1-yl]-1-phenyl-propan-1-amine (1S)-3-[(2S)-2-methylindolin-1-y…

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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) 1.75 9.09 -50.15 3 2 1 31 267.396 4 ↓

Parameters Provided:

ring.id = 45068
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 = 45068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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