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Analogs

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Popular Name: (1S)-3-[cyclopentyl(methyl)amino]-1-phenyl-propan-1-ol (1S)-3-[cyclopentyl(methyl)amino…

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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) 2.83 7.47 -35.61 2 2 1 25 234.363 5 ↓

Analogs

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Popular Name: (1R)-3-[cyclopentyl(methyl)amino]-1-phenyl-propan-1-ol (1R)-3-[cyclopentyl(methyl)amino…

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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) 2.83 7.42 -35.76 2 2 1 25 234.363 5 ↓

Analogs

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Popular Name: (1S)-3-[cyclopentyl(ethyl)amino]-1-phenyl-propan-1-ol (1S)-3-[cyclopentyl(ethyl)amino]…

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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 7.83 -34.46 2 2 1 25 248.39 6 ↓

Analogs

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Popular Name: (1R)-3-[cyclopentyl(ethyl)amino]-1-phenyl-propan-1-ol (1R)-3-[cyclopentyl(ethyl)amino]…

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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 7.81 -34.48 2 2 1 25 248.39 6 ↓

Analogs

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Popular Name: (1S)-N'-cyclopentyl-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1S)-N'-cyclopentyl-N,N'-dimethy…

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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) 2.48 8.51 -35.96 2 2 1 16 247.406 6 ↓
Lo Low (pH 4.5-6) 2.48 9.64 -112.07 3 2 2 21 248.414 6 ↓

Analogs

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Popular Name: (1R)-N'-cyclopentyl-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1R)-N'-cyclopentyl-N,N'-dimethy…

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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) 2.48 8.51 -32.65 2 2 1 16 247.406 6 ↓
Lo Low (pH 4.5-6) 2.48 9.63 -112.32 3 2 2 21 248.414 6 ↓

Analogs

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Popular Name: (1S)-N'-cyclopentyl-N-ethyl-N'-methyl-1-phenyl-propane-1,3-diamine (1S)-N'-cyclopentyl-N-ethyl-N'-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 9.46 -36.18 2 2 1 16 261.433 7 ↓
Lo Low (pH 4.5-6) 2.85 10.48 -111.19 3 2 2 21 262.441 7 ↓

Analogs

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Popular Name: (1R)-N'-cyclopentyl-N-ethyl-N'-methyl-1-phenyl-propane-1,3-diamine (1R)-N'-cyclopentyl-N-ethyl-N'-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 9.47 -32.68 2 2 1 16 261.433 7 ↓
Lo Low (pH 4.5-6) 2.85 10.5 -110.84 3 2 2 21 262.441 7 ↓

Analogs

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Popular Name: (1S)-N'-cyclopentyl-N'-methyl-1-phenyl-N-propyl-propane-1,3-diamine (1S)-N'-cyclopentyl-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) 3.36 10.29 -36.29 2 2 1 16 275.46 8 ↓
Lo Low (pH 4.5-6) 3.36 11.24 -113.52 3 2 2 21 276.468 8 ↓

Analogs

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Popular Name: (1R)-N'-cyclopentyl-N'-methyl-1-phenyl-N-propyl-propane-1,3-diamine (1R)-N'-cyclopentyl-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) 3.36 10.23 -32.91 2 2 1 16 275.46 8 ↓
Lo Low (pH 4.5-6) 3.36 11.26 -113.01 3 2 2 21 276.468 8 ↓

Analogs

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Popular Name: (1R)-3-[cyclopentyl(2-hydroxyethyl)amino]-1-phenyl-propan-1-ol (1R)-3-[cyclopentyl(2-hydroxyeth…

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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) 2.19 4.58 -34.08 3 3 1 45 264.389 7 ↓

Analogs

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Popular Name: (1S)-3-[cyclopentyl(2-hydroxyethyl)amino]-1-phenyl-propan-1-ol (1S)-3-[cyclopentyl(2-hydroxyeth…

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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) 2.19 4.57 -34.04 3 3 1 45 264.389 7 ↓

Analogs

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Popular Name: (1S)-N'-cyclopentyl-N'-ethyl-N-methyl-1-phenyl-propane-1,3-diamine (1S)-N'-cyclopentyl-N'-ethyl-N-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 8.87 -31.69 2 2 1 16 261.433 7 ↓
Lo Low (pH 4.5-6) 2.85 10.01 -110.87 3 2 2 21 262.441 7 ↓

Analogs

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Popular Name: (1R)-N'-cyclopentyl-N'-ethyl-N-methyl-1-phenyl-propane-1,3-diamine (1R)-N'-cyclopentyl-N'-ethyl-N-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 8.88 -34.69 2 2 1 16 261.433 7 ↓
Lo Low (pH 4.5-6) 2.85 10.01 -111.09 3 2 2 21 262.441 7 ↓

Analogs

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Popular Name: (1S)-N'-cyclopentyl-N,N'-diethyl-1-phenyl-propane-1,3-diamine (1S)-N'-cyclopentyl-N,N'-diethyl…

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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) 3.23 9.83 -34.87 2 2 1 16 275.46 8 ↓
Lo Low (pH 4.5-6) 3.23 10.86 -110.12 3 2 2 21 276.468 8 ↓

Analogs

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Popular Name: (1R)-N'-cyclopentyl-N,N'-diethyl-1-phenyl-propane-1,3-diamine (1R)-N'-cyclopentyl-N,N'-diethyl…

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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) 3.23 9.8 -31.61 2 2 1 16 275.46 8 ↓
Lo Low (pH 4.5-6) 3.23 10.84 -110.3 3 2 2 21 276.468 8 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3S)-3-(methylamino)-3-phenyl-propyl]amino]ethanol 2-[cyclopentyl-[(3S)-3-(methylam…

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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) 1.84 6.25 -34.8 3 3 1 37 277.432 8 ↓
Lo Low (pH 4.5-6) 1.84 7.19 -112.66 4 3 2 41 278.44 8 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3R)-3-(methylamino)-3-phenyl-propyl]amino]ethanol 2-[cyclopentyl-[(3R)-3-(methylam…

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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) 1.84 6.13 -31.73 3 3 1 37 277.432 8 ↓
Lo Low (pH 4.5-6) 1.84 7.16 -112.82 4 3 2 41 278.44 8 ↓

Analogs

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Popular Name: 2-[[(3R)-3-amino-3-phenyl-propyl]-cyclopentyl-amino]ethanol 2-[[(3R)-3-amino-3-phenyl-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) 0.50 4.77 -31.29 4 3 1 51 263.405 7 ↓
Lo Low (pH 4.5-6) 0.50 5.44 -119.44 5 3 2 52 264.413 7 ↓

Analogs

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Popular Name: 2-[[(3S)-3-amino-3-phenyl-propyl]-cyclopentyl-amino]ethanol 2-[[(3S)-3-amino-3-phenyl-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) 0.50 4.71 -34.61 4 3 1 51 263.405 7 ↓
Lo Low (pH 4.5-6) 0.50 5.45 -119.01 5 3 2 52 264.413 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3S)-3-(ethylamino)-3-phenyl-propyl]amino]ethanol 2-[cyclopentyl-[(3S)-3-(ethylami…

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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 7.06 -35.16 3 3 1 37 291.459 9 ↓
Lo Low (pH 4.5-6) 2.22 8.03 -112.14 4 3 2 41 292.467 9 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3R)-3-(ethylamino)-3-phenyl-propyl]amino]ethanol 2-[cyclopentyl-[(3R)-3-(ethylami…

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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 7.06 -31.85 3 3 1 37 291.459 9 ↓
Lo Low (pH 4.5-6) 2.22 8 -111.96 4 3 2 41 292.467 9 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-N'-cyclopentyl-N'-methyl-propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-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) 1.94 8.24 -35.31 3 2 1 30 312.275 5 ↓
Lo Low (pH 4.5-6) 1.94 8.55 -125.37 4 2 2 32 313.283 5 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-N'-cyclopentyl-N'-methyl-propane-1,3-diamine (1R)-1-(4-bromophenyl)-N'-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) 1.94 8.22 -38.41 3 2 1 30 312.275 5 ↓
Lo Low (pH 4.5-6) 1.94 8.56 -125.09 4 2 2 32 313.283 5 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-N'-cyclopentyl-N,N'-dimethyl-propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-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) 3.29 9.15 -38.34 2 2 1 16 326.302 6 ↓
Lo Low (pH 4.5-6) 3.29 10.26 -119.1 3 2 2 21 327.31 6 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-N'-cyclopentyl-N,N'-dimethyl-propane-1,3-diamine (1R)-1-(4-bromophenyl)-N'-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) 3.29 9.15 -35.18 2 2 1 16 326.302 6 ↓
Lo Low (pH 4.5-6) 3.29 10.29 -118.65 3 2 2 21 327.31 6 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-N'-cyclopentyl-N-ethyl-N'-methyl-propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-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) 3.66 10.07 -38.61 2 2 1 16 340.329 7 ↓
Lo Low (pH 4.5-6) 3.66 11.1 -118.4 3 2 2 21 341.337 7 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-N'-cyclopentyl-N-ethyl-N'-methyl-propane-1,3-diamine (1R)-1-(4-bromophenyl)-N'-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) 3.66 10.1 -35.36 2 2 1 16 340.329 7 ↓
Lo Low (pH 4.5-6) 3.66 11.12 -118.02 3 2 2 21 341.337 7 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-N'-cyclopentyl-N'-methyl-propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-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) 1.91 8.24 -34.52 3 2 1 30 312.275 5 ↓
Lo Low (pH 4.5-6) 1.91 8.55 -124.28 4 2 2 32 313.283 5 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-N'-cyclopentyl-N'-methyl-propane-1,3-diamine (1R)-1-(3-bromophenyl)-N'-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) 1.91 8.21 -37.51 3 2 1 30 312.275 5 ↓
Lo Low (pH 4.5-6) 1.91 8.56 -123.46 4 2 2 32 313.283 5 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethyl-propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-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) 3.26 9.14 -37.52 2 2 1 16 326.302 6 ↓
Lo Low (pH 4.5-6) 3.26 10.25 -117.49 3 2 2 21 327.31 6 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethyl-propane-1,3-diamine (1R)-1-(3-bromophenyl)-N'-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) 3.26 9.14 -34.12 2 2 1 16 326.302 6 ↓
Lo Low (pH 4.5-6) 3.26 10.28 -116.95 3 2 2 21 327.31 6 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-N'-cyclopentyl-N-ethyl-N'-methyl-propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-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) 3.64 10.07 -37.78 2 2 1 16 340.329 7 ↓
Lo Low (pH 4.5-6) 3.64 11.09 -116.63 3 2 2 21 341.337 7 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-N'-cyclopentyl-N-ethyl-N'-methyl-propane-1,3-diamine (1R)-1-(3-bromophenyl)-N'-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) 3.64 10.08 -34.26 2 2 1 16 340.329 7 ↓
Lo Low (pH 4.5-6) 3.64 11.12 -116.11 3 2 2 21 341.337 7 ↓

Analogs

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Popular Name: (1R)-N'-cyclopentyl-N'-methyl-1-(p-tolyl)propane-1,3-diamine (1R)-N'-cyclopentyl-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) 1.57 8.28 -35.76 3 2 1 30 247.406 5 ↓
Lo Low (pH 4.5-6) 1.57 8.62 -118 4 2 2 32 248.414 5 ↓

Analogs

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Popular Name: (1S)-N'-cyclopentyl-N'-methyl-1-(p-tolyl)propane-1,3-diamine (1S)-N'-cyclopentyl-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) 1.57 8.3 -32.48 3 2 1 30 247.406 5 ↓
Lo Low (pH 4.5-6) 1.57 8.6 -118.59 4 2 2 32 248.414 5 ↓

Analogs

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Popular Name: (1R)-N'-cyclopentyl-N,N'-dimethyl-1-(p-tolyl)propane-1,3-diamine (1R)-N'-cyclopentyl-N,N'-dimethy…

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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) 2.93 9.19 -36.01 2 2 1 16 261.433 6 ↓
Lo Low (pH 4.5-6) 2.93 10.31 -112.6 3 2 2 21 262.441 6 ↓

Analogs

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Popular Name: (1S)-N'-cyclopentyl-N,N'-dimethyl-1-(p-tolyl)propane-1,3-diamine (1S)-N'-cyclopentyl-N,N'-dimethy…

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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) 2.93 9.21 -32.6 2 2 1 16 261.433 6 ↓
Lo Low (pH 4.5-6) 2.93 10.33 -112.29 3 2 2 21 262.441 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cyclopentyl-N-ethyl-N'-methyl-1-(p-tolyl)propane-1,3-diamine (1S)-N'-cyclopentyl-N-ethyl-N'-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.30 10.13 -36.14 2 2 1 16 275.46 7 ↓
Lo Low (pH 4.5-6) 3.30 11.16 -111.38 3 2 2 21 276.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cyclopentyl-N-ethyl-N'-methyl-1-(p-tolyl)propane-1,3-diamine (1R)-N'-cyclopentyl-N-ethyl-N'-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.30 10.14 -32.58 2 2 1 16 275.46 7 ↓
Lo Low (pH 4.5-6) 3.30 11.18 -111.08 3 2 2 21 276.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cyclopentyl-N'-methyl-N-propyl-1-(p-tolyl)propane-1,3-diamine (1S)-N'-cyclopentyl-N'-methyl-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) 3.81 10.89 -36.32 2 2 1 16 289.487 8 ↓
Lo Low (pH 4.5-6) 3.81 11.9 -113.57 3 2 2 21 290.495 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cyclopentyl-N'-methyl-N-propyl-1-(p-tolyl)propane-1,3-diamine (1R)-N'-cyclopentyl-N'-methyl-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) 3.81 10.9 -32.79 2 2 1 16 289.487 8 ↓
Lo Low (pH 4.5-6) 3.81 11.93 -113.22 3 2 2 21 290.495 8 ↓

Analogs

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Popular Name: (1S,2S)-N'-cyclopentyl-N',2-dimethyl-1-phenyl-propane-1,3-diamine (1S,2S)-N'-cyclopentyl-N',2-dime…

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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) 1.60 8.09 -35.57 3 2 1 30 247.406 5 ↓
Lo Low (pH 4.5-6) 1.60 8.41 -118.7 4 2 2 32 248.414 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N'-cyclopentyl-N',2-dimethyl-1-phenyl-propane-1,3-diamine (1S,2R)-N'-cyclopentyl-N',2-dime…

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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) 1.60 8.13 -35.97 3 2 1 30 247.406 5 ↓
Lo Low (pH 4.5-6) 1.60 8.45 -119.75 4 2 2 32 248.414 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N'-cyclopentyl-N,N',2-trimethyl-1-phenyl-propane-1,3-diamine (1S,2S)-N'-cyclopentyl-N,N',2-tr…

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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) 3.86 9.13 -32.03 2 2 1 16 261.433 6 ↓
Lo Low (pH 4.5-6) 3.86 10.18 -111.77 3 2 2 21 262.441 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N'-cyclopentyl-N,N',2-trimethyl-1-phenyl-propane-1,3-diamine (1S,2R)-N'-cyclopentyl-N,N',2-tr…

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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) 3.86 9.29 -33 2 2 1 16 261.433 6 ↓
Lo Low (pH 4.5-6) 3.86 9.91 -105.6 3 2 2 21 262.441 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N'-cyclopentyl-N-ethyl-N',2-dimethyl-1-phenyl-propane-1,3-diamine (1R,2S)-N'-cyclopentyl-N-ethyl-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) 4.23 10.23 -32.28 2 2 1 16 275.46 7 ↓
Lo Low (pH 4.5-6) 4.23 11.07 -108.44 3 2 2 21 276.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N'-cyclopentyl-N-ethyl-N',2-dimethyl-1-phenyl-propane-1,3-diamine (1S,2S)-N'-cyclopentyl-N-ethyl-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) 4.23 9.66 -35.62 2 2 1 16 275.46 7 ↓
Lo Low (pH 4.5-6) 4.23 10.59 -105.95 3 2 2 21 276.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N'-cyclopentyl-N-ethyl-N',2-dimethyl-1-phenyl-propane-1,3-diamine (1R,2R)-N'-cyclopentyl-N-ethyl-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) 4.23 11.23 -30.34 2 2 1 16 275.46 7 ↓
Lo Low (pH 4.5-6) 4.23 10.67 -110.32 3 2 2 21 276.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N'-cyclopentyl-N-ethyl-N',2-dimethyl-1-phenyl-propane-1,3-diamine (1S,2R)-N'-cyclopentyl-N-ethyl-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) 4.23 10.43 -36.65 2 2 1 16 275.46 7 ↓
Lo Low (pH 4.5-6) 4.23 10.82 -107.1 3 2 2 21 276.468 7 ↓

Parameters Provided:

ring.id = 7331
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 = 7331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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