UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017235
35017235

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Popular Name: (1S)-2-methyl-N-(3-phenylpropyl)-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-(3-phenylpropyl)…

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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) 5.02 10.81 -37.58 2 1 1 17 274.453 7 ↓
Hi High (pH 8-9.5) 5.02 9.5 -2.78 1 1 0 12 273.445 7 ↓

Analogs

35017233
35017233

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Popular Name: (1R)-2-methyl-N-(3-phenylpropyl)-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-(3-phenylpropyl)…

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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) 5.02 10.78 -37.57 2 1 1 17 274.453 7 ↓
Hi High (pH 8-9.5) 5.02 9.38 -3.28 1 1 0 12 273.445 7 ↓

Analogs

37855648
37855648

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Popular Name: 2-thiophenemethanamine, N-(3-phenylpropyl)- 2-thiophenemethanamine, N-(3-phe…

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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) 3.72 8.91 -42.87 2 1 1 17 232.372 6 ↓
Hi High (pH 8-9.5) 3.72 7.5 -3.43 1 1 0 12 231.364 6 ↓

Analogs

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Popular Name: 3-phenyl-N-[(1R)-1-(2-thienyl)ethyl]propan-1-amine 3-phenyl-N-[(1R)-1-(2-thienyl)et…

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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) 4.28 9.51 -40.11 2 1 1 17 246.399 6 ↓
Hi High (pH 8-9.5) 4.28 8.21 -3.7 1 1 0 12 245.391 6 ↓

Analogs

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Popular Name: 3-phenyl-N-[(1S)-1-(2-thienyl)ethyl]propan-1-amine 3-phenyl-N-[(1S)-1-(2-thienyl)et…

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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) 4.28 9.5 -40.08 2 1 1 17 246.399 6 ↓
Hi High (pH 8-9.5) 4.28 8.19 -3.18 1 1 0 12 245.391 6 ↓

Analogs

38001880
38001880
38001881
38001881

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-3-phenyl-propan-1-amine N-[(5-bromo-2-thienyl)methyl]-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) 4.65 9.64 -47.31 2 1 1 17 311.268 6 ↓
Hi High (pH 8-9.5) 4.65 8.23 -3.16 1 1 0 12 310.26 6 ↓

Analogs

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Popular Name: 3-(p-tolyl)-N-(2-thienylmethyl)propan-1-amine 3-(p-tolyl)-N-(2-thienylmethyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 9.61 -41.98 2 1 1 17 246.399 6 ↓
Hi High (pH 8-9.5) 4.17 8.26 -3.43 1 1 0 12 245.391 6 ↓

Analogs

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Popular Name: (2R)-1-[2-methoxyethyl(2-thienylmethyl)amino]-3-phenyl-propan-2-ol (2R)-1-[2-methoxyethyl(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) 2.78 7.72 -39.09 2 3 1 34 306.451 9 ↓
Mid Mid (pH 6-8) 2.78 5.67 -4.46 1 3 0 33 305.443 9 ↓

Analogs

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Popular Name: (2S)-1-[2-methoxyethyl(2-thienylmethyl)amino]-3-phenyl-propan-2-ol (2S)-1-[2-methoxyethyl(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) 2.78 7.43 -39.54 2 3 1 34 306.451 9 ↓
Mid Mid (pH 6-8) 2.78 5.19 -5.21 1 3 0 33 305.443 9 ↓

Analogs

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Popular Name: (2R)-1-[isobutyl-[(5-methyl-2-thienyl)methyl]amino]-3-phenyl-propan-2-ol (2R)-1-[isobutyl-[(5-methyl-2-th…

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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) 4.14 10.84 -38.51 2 2 1 25 318.506 8 ↓
Hi High (pH 8-9.5) 4.14 8.96 -5.17 1 2 0 23 317.498 8 ↓

Analogs

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Popular Name: (2S)-1-[isobutyl-[(5-methyl-2-thienyl)methyl]amino]-3-phenyl-propan-2-ol (2S)-1-[isobutyl-[(5-methyl-2-th…

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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) 4.14 10.54 -36.89 2 2 1 25 318.506 8 ↓
Hi High (pH 8-9.5) 4.14 8.51 -5.35 1 2 0 23 317.498 8 ↓

Analogs

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Popular Name: (2R)-1-[2-methoxyethyl-[(5-methyl-2-thienyl)methyl]amino]-3-phenyl-propan-2-ol (2R)-1-[2-methoxyethyl-[(5-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) 3.01 8.52 -38.99 2 3 1 34 320.478 9 ↓
Mid Mid (pH 6-8) 3.01 6.32 -7.69 1 3 0 33 319.47 9 ↓

Analogs

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Popular Name: (2S)-1-[2-methoxyethyl-[(5-methyl-2-thienyl)methyl]amino]-3-phenyl-propan-2-ol (2S)-1-[2-methoxyethyl-[(5-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) 3.01 8.28 -37.68 2 3 1 34 320.478 9 ↓
Mid Mid (pH 6-8) 3.01 6.16 -6.33 1 3 0 33 319.47 9 ↓

Analogs

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Popular Name: (2R)-1-[isopropyl-[(5-methyl-2-thienyl)methyl]amino]-3-phenyl-propan-2-ol (2R)-1-[isopropyl-[(5-methyl-2-t…

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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) 3.69 9.03 -39.06 2 2 1 25 304.479 7 ↓
Hi High (pH 8-9.5) 3.69 7.03 -5.98 1 2 0 23 303.471 7 ↓

Analogs

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Popular Name: (2S)-1-[isopropyl-[(5-methyl-2-thienyl)methyl]amino]-3-phenyl-propan-2-ol (2S)-1-[isopropyl-[(5-methyl-2-t…

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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) 3.69 9.04 -38.15 2 2 1 25 304.479 7 ↓
Hi High (pH 8-9.5) 3.69 7.61 -5.88 1 2 0 23 303.471 7 ↓

Analogs

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Popular Name: (2R)-1-[isopropyl(2-thienylmethyl)amino]-3-phenyl-propan-2-ol (2R)-1-[isopropyl(2-thienylmethy…

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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) 3.47 8.26 -39.32 2 2 1 25 290.452 7 ↓
Hi High (pH 8-9.5) 3.47 6.25 -5.82 1 2 0 23 289.444 7 ↓

Analogs

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Popular Name: (2S)-1-[isopropyl(2-thienylmethyl)amino]-3-phenyl-propan-2-ol (2S)-1-[isopropyl(2-thienylmethy…

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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) 3.47 8.57 -39.3 2 2 1 25 290.452 7 ↓
Hi High (pH 8-9.5) 3.47 6.65 -5.77 1 2 0 23 289.444 7 ↓

Analogs

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Popular Name: (1S)-3-[methyl(2-thienylmethyl)amino]-1-phenyl-propan-1-ol (1S)-3-[methyl(2-thienylmethyl)a…

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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) 2.72 7.67 -38.93 2 2 1 25 262.398 6 ↓
Mid Mid (pH 6-8) 2.72 5.33 -4.63 1 2 0 23 261.39 6 ↓

Analogs

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Popular Name: (1R)-3-[methyl(2-thienylmethyl)amino]-1-phenyl-propan-1-ol (1R)-3-[methyl(2-thienylmethyl)a…

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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) 2.72 7.64 -38.74 2 2 1 25 262.398 6 ↓
Mid Mid (pH 6-8) 2.72 5.31 -4.61 1 2 0 23 261.39 6 ↓

Analogs

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Popular Name: (1S)-3-[methyl-[(1S)-1-(2-thienyl)ethyl]amino]-1-phenyl-propan-1-ol (1S)-3-[methyl-[(1S)-1-(2-thieny…

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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) 3.28 8.21 -36.02 2 2 1 25 276.425 6 ↓
Mid Mid (pH 6-8) 3.28 5.93 -4.65 1 2 0 23 275.417 6 ↓

Analogs

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Popular Name: (1S)-3-[methyl-[(1R)-1-(2-thienyl)ethyl]amino]-1-phenyl-propan-1-ol (1S)-3-[methyl-[(1R)-1-(2-thieny…

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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) 3.28 8.22 -36.09 2 2 1 25 276.425 6 ↓
Mid Mid (pH 6-8) 3.28 5.92 -4.43 1 2 0 23 275.417 6 ↓

Analogs

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Popular Name: (1S)-3-[(5-chloro-2-thienyl)methyl-methyl-amino]-1-phenyl-propan-1-ol (1S)-3-[(5-chloro-2-thienyl)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) 3.53 8.3 -42.87 2 2 1 25 296.843 6 ↓
Mid Mid (pH 6-8) 3.53 5.96 -4.31 1 2 0 23 295.835 6 ↓

Analogs

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Popular Name: (1R)-3-[(5-chloro-2-thienyl)methyl-methyl-amino]-1-phenyl-propan-1-ol (1R)-3-[(5-chloro-2-thienyl)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) 3.53 8.27 -42.79 2 2 1 25 296.843 6 ↓
Mid Mid (pH 6-8) 3.53 5.93 -4.19 1 2 0 23 295.835 6 ↓

Analogs

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Popular Name: (1S)-3-[(4-bromo-2-thienyl)methyl-methyl-amino]-1-phenyl-propan-1-ol (1S)-3-[(4-bromo-2-thienyl)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) 3.46 8.29 -41.77 2 2 1 25 341.294 6 ↓
Mid Mid (pH 6-8) 3.46 5.94 -4.45 1 2 0 23 340.286 6 ↓

Analogs

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Popular Name: (1R)-3-[(4-bromo-2-thienyl)methyl-methyl-amino]-1-phenyl-propan-1-ol (1R)-3-[(4-bromo-2-thienyl)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) 3.46 8.26 -41.66 2 2 1 25 341.294 6 ↓
Mid Mid (pH 6-8) 3.46 5.92 -4.28 1 2 0 23 340.286 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 7.5 -41.25 2 2 1 20 275.441 7 ↓
Hi High (pH 8-9.5) 2.38 6.39 -3.61 1 2 0 15 274.433 7 ↓
Lo Low (pH 4.5-6) 2.38 8.72 -39.53 2 2 1 16 275.441 7 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 7.52 -42.18 2 2 1 20 275.441 7 ↓
Hi High (pH 8-9.5) 2.38 6.38 -3.01 1 2 0 15 274.433 7 ↓
Lo Low (pH 4.5-6) 2.38 8.72 -35.71 2 2 1 16 275.441 7 ↓

Analogs

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Popular Name: (1S)-N-ethyl-N'-methyl-1-phenyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-N-ethyl-N'-methyl-1-phenyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 8.34 -39.55 2 2 1 20 289.468 8 ↓
Lo Low (pH 4.5-6) 2.75 9.66 -39.78 2 2 1 16 289.468 8 ↓
Lo Low (pH 4.5-6) 2.75 10.69 -116.4 3 2 2 21 290.476 8 ↓

Analogs

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Popular Name: (1R)-N-ethyl-N'-methyl-1-phenyl-N'-(2-thienylmethyl)propane-1,3-diamine (1R)-N-ethyl-N'-methyl-1-phenyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 8.35 -40.53 2 2 1 20 289.468 8 ↓
Lo Low (pH 4.5-6) 2.75 9.67 -35.89 2 2 1 16 289.468 8 ↓
Lo Low (pH 4.5-6) 2.75 10.69 -117.84 3 2 2 21 290.476 8 ↓

Analogs

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Popular Name: (1S)-N'-methyl-1-phenyl-N-propyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-N'-methyl-1-phenyl-N-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) 3.25 9.11 -41.1 2 2 1 20 303.495 9 ↓
Lo Low (pH 4.5-6) 3.25 11.44 -119.51 3 2 2 21 304.503 9 ↓

Analogs

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Popular Name: (1R)-N'-methyl-1-phenyl-N-propyl-N'-(2-thienylmethyl)propane-1,3-diamine (1R)-N'-methyl-1-phenyl-N-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) 3.25 9.12 -41.26 2 2 1 20 303.495 9 ↓
Lo Low (pH 4.5-6) 3.25 11.43 -119.56 3 2 2 21 304.503 9 ↓

Analogs

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Popular Name: (1S)-3-[isopropyl(2-thienylmethyl)amino]-1-phenyl-propan-1-ol (1S)-3-[isopropyl(2-thienylmethy…

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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) 3.40 8.21 -36.94 2 2 1 25 290.452 7 ↓
Mid Mid (pH 6-8) 3.40 6.56 -4.35 1 2 0 23 289.444 7 ↓

Analogs

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Popular Name: (1R)-3-[isopropyl(2-thienylmethyl)amino]-1-phenyl-propan-1-ol (1R)-3-[isopropyl(2-thienylmethy…

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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) 3.40 8.21 -36.74 2 2 1 25 290.452 7 ↓
Mid Mid (pH 6-8) 3.40 6.53 -4.09 1 2 0 23 289.444 7 ↓

Analogs

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Popular Name: (1S)-3-[ethyl(2-thienylmethyl)amino]-1-phenyl-propan-1-ol (1S)-3-[ethyl(2-thienylmethyl)am…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 8.37 -37.2 2 2 1 25 276.425 7 ↓
Mid Mid (pH 6-8) 3.10 5.93 -4.42 1 2 0 23 275.417 7 ↓

Analogs

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Popular Name: (1R)-3-[ethyl(2-thienylmethyl)amino]-1-phenyl-propan-1-ol (1R)-3-[ethyl(2-thienylmethyl)am…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 8.36 -36.87 2 2 1 25 276.425 7 ↓
Mid Mid (pH 6-8) 3.10 6.2 -4.67 1 2 0 23 275.417 7 ↓

Analogs

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Popular Name: (1S)-N,N'-dimethyl-1-phenyl-N'-[(1S)-1-(2-thienyl)ethyl]propane-1,3-diamine (1S)-N,N'-dimethyl-1-phenyl-N'-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 8.1 -42.04 2 2 1 20 289.468 7 ↓
Hi High (pH 8-9.5) 2.94 6.98 -2.87 1 2 0 15 288.46 7 ↓
Lo Low (pH 4.5-6) 2.94 9.27 -33.2 2 2 1 16 289.468 7 ↓

Analogs

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Popular Name: (1S)-N,N'-dimethyl-1-phenyl-N'-[(1R)-1-(2-thienyl)ethyl]propane-1,3-diamine (1S)-N,N'-dimethyl-1-phenyl-N'-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 8.09 -42.39 2 2 1 20 289.468 7 ↓
Hi High (pH 8-9.5) 2.94 6.97 -3.02 1 2 0 15 288.46 7 ↓
Lo Low (pH 4.5-6) 2.94 9.27 -33.19 2 2 1 16 289.468 7 ↓

Analogs

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Popular Name: (1S)-N-ethyl-N'-methyl-1-phenyl-N'-[(1S)-1-(2-thienyl)ethyl]propane-1,3-diamine (1S)-N-ethyl-N'-methyl-1-phenyl-…

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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) 3.31 8.94 -36.6 2 2 1 20 303.495 8 ↓
Lo Low (pH 4.5-6) 3.31 10.21 -36.2 2 2 1 16 303.495 8 ↓
Lo Low (pH 4.5-6) 3.31 11.22 -108.53 3 2 2 21 304.503 8 ↓

Analogs

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Popular Name: (1R)-N-ethyl-N'-methyl-1-phenyl-N'-[(1S)-1-(2-thienyl)ethyl]propane-1,3-diamine (1R)-N-ethyl-N'-methyl-1-phenyl-…

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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) 3.31 8.95 -40.55 2 2 1 20 303.495 8 ↓
Lo Low (pH 4.5-6) 3.31 10.21 -33.28 2 2 1 16 303.495 8 ↓
Lo Low (pH 4.5-6) 3.31 11.24 -115.29 3 2 2 21 304.503 8 ↓

Analogs

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Popular Name: (1S)-N'-[(5-chloro-2-thienyl)methyl]-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1S)-N'-[(5-chloro-2-thienyl)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) 3.18 8.12 -43.63 2 2 1 20 309.886 7 ↓
Hi High (pH 8-9.5) 3.18 7 -3.4 1 2 0 15 308.878 7 ↓
Lo Low (pH 4.5-6) 3.18 9.35 -43.88 2 2 1 16 309.886 7 ↓

Analogs

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Popular Name: (1R)-N'-[(5-chloro-2-thienyl)methyl]-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1R)-N'-[(5-chloro-2-thienyl)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) 3.18 8.14 -44.05 2 2 1 20 309.886 7 ↓
Hi High (pH 8-9.5) 3.18 7 -2.69 1 2 0 15 308.878 7 ↓
Lo Low (pH 4.5-6) 3.18 9.36 -39.65 2 2 1 16 309.886 7 ↓

Analogs

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Popular Name: (1S)-N'-[(5-chloro-2-thienyl)methyl]-N-ethyl-N'-methyl-1-phenyl-propane-1,3-diamine (1S)-N'-[(5-chloro-2-thienyl)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) 3.55 8.96 -41.94 2 2 1 20 323.913 8 ↓
Lo Low (pH 4.5-6) 3.55 10.29 -44.21 2 2 1 16 323.913 8 ↓
Lo Low (pH 4.5-6) 3.55 11.31 -123.22 3 2 2 21 324.921 8 ↓

Analogs

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Popular Name: (1R)-N'-[(5-chloro-2-thienyl)methyl]-N-ethyl-N'-methyl-1-phenyl-propane-1,3-diamine (1R)-N'-[(5-chloro-2-thienyl)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) 3.55 8.98 -42.36 2 2 1 20 323.913 8 ↓
Lo Low (pH 4.5-6) 3.55 10.3 -39.81 2 2 1 16 323.913 8 ↓
Lo Low (pH 4.5-6) 3.55 11.32 -123.89 3 2 2 21 324.921 8 ↓

Analogs

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Popular Name: (1S)-N'-[(4-bromo-2-thienyl)methyl]-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1S)-N'-[(4-bromo-2-thienyl)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) 3.11 8.11 -43.14 2 2 1 20 354.337 7 ↓
Hi High (pH 8-9.5) 3.11 6.99 -3.43 1 2 0 15 353.329 7 ↓
Lo Low (pH 4.5-6) 3.11 9.34 -42.76 2 2 1 16 354.337 7 ↓

Analogs

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Popular Name: (1R)-N'-[(4-bromo-2-thienyl)methyl]-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1R)-N'-[(4-bromo-2-thienyl)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) 3.11 8.13 -42.66 2 2 1 20 354.337 7 ↓
Hi High (pH 8-9.5) 3.11 6.99 -2.82 1 2 0 15 353.329 7 ↓
Lo Low (pH 4.5-6) 3.11 9.34 -38.56 2 2 1 16 354.337 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-[(4-bromo-2-thienyl)methyl]-N-ethyl-N'-methyl-1-phenyl-propane-1,3-diamine (1S)-N'-[(4-bromo-2-thienyl)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) 3.49 8.95 -41.43 2 2 1 20 368.364 8 ↓
Lo Low (pH 4.5-6) 3.49 10.28 -43.01 2 2 1 16 368.364 8 ↓
Lo Low (pH 4.5-6) 3.49 11.3 -121.59 3 2 2 21 369.372 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-[(4-bromo-2-thienyl)methyl]-N-ethyl-N'-methyl-1-phenyl-propane-1,3-diamine (1R)-N'-[(4-bromo-2-thienyl)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) 3.49 8.96 -41.03 2 2 1 20 368.364 8 ↓
Lo Low (pH 4.5-6) 3.49 10.29 -38.81 2 2 1 16 368.364 8 ↓
Lo Low (pH 4.5-6) 3.49 11.3 -121.5 3 2 2 21 369.372 8 ↓

Analogs

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Popular Name: (1S)-N'-isopropyl-N-methyl-1-phenyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-N'-isopropyl-N-methyl-1-phe…

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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) 3.05 8.8 -42.19 2 2 1 20 303.495 8 ↓
Hi High (pH 8-9.5) 3.05 7.74 -3.01 1 2 0 15 302.487 8 ↓
Lo Low (pH 4.5-6) 3.05 9.36 -32.97 2 2 1 16 303.495 8 ↓

Analogs

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Popular Name: (1R)-N'-isopropyl-N-methyl-1-phenyl-N'-(2-thienylmethyl)propane-1,3-diamine (1R)-N'-isopropyl-N-methyl-1-phe…

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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) 3.05 8.74 -38.76 2 2 1 20 303.495 8 ↓
Hi High (pH 8-9.5) 3.05 7.62 -3.07 1 2 0 15 302.487 8 ↓
Lo Low (pH 4.5-6) 3.05 9.3 -37.56 2 2 1 16 303.495 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-ethyl-N-methyl-1-phenyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-N'-ethyl-N-methyl-1-phenyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 8.37 -36.12 2 2 1 20 289.468 8 ↓
Hi High (pH 8-9.5) 2.75 7.25 -3 1 2 0 15 288.46 8 ↓
Lo Low (pH 4.5-6) 2.75 9.46 -33.96 2 2 1 16 289.468 8 ↓

Parameters Provided:

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