UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2795853
2795853

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Popular Name: benzyl-[(5S)-5-(bromomethyl)-2-thiazolin-2-yl]-methyl-amine benzyl-[(5S)-5-(bromomethyl)-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) 2.76 -2.35 -5.76 0 2 0 15 299.237 4 ↓

Analogs

2795852
2795852

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Popular Name: benzyl-[(5R)-5-(bromomethyl)-2-thiazolin-2-yl]-methyl-amine benzyl-[(5R)-5-(bromomethyl)-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) 2.76 -2.35 -5.63 0 2 0 15 299.237 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 6.26 -31.21 2 2 1 26 225.312 3 ↓
Hi High (pH 8-9.5) 2.52 5.45 -5.1 1 2 0 24 224.304 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 6.26 -31.17 2 2 1 26 225.312 3 ↓
Hi High (pH 8-9.5) 2.52 5.44 -5.14 1 2 0 24 224.304 3 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1S)-1-(4-fluoro…

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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) 3.38 7.78 -29.65 2 2 1 26 253.366 4 ↓
Hi High (pH 8-9.5) 3.38 6.95 -5.3 1 2 0 24 252.358 3 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1S)-1-(4-fluoro…

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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) 3.38 7.78 -29.7 2 2 1 26 253.366 4 ↓
Hi High (pH 8-9.5) 3.38 6.95 -5.32 1 2 0 24 252.358 3 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1R)-1-(4-fluoro…

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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) 3.38 7.79 -29.68 2 2 1 26 253.366 4 ↓
Hi High (pH 8-9.5) 3.38 6.95 -5.32 1 2 0 24 252.358 3 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1R)-1-(4-fluoro…

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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) 3.38 7.79 -29.64 2 2 1 26 253.366 4 ↓
Hi High (pH 8-9.5) 3.38 6.95 -5.29 1 2 0 24 252.358 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1S)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.62 -28.75 2 2 1 26 253.366 3 ↓
Hi High (pH 8-9.5) 3.33 6.56 -5.35 1 2 0 24 252.358 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1R)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.62 -28.6 2 2 1 26 253.366 3 ↓
Hi High (pH 8-9.5) 3.33 6.55 -5.37 1 2 0 24 252.358 2 ↓

Analogs

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Popular Name: (5R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 2.88 6.97 -30.25 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.88 6.98 -30.48 2 2 1 26 239.339 2 ↓
Hi High (pH 8-9.5) 2.88 6.22 -6.31 1 2 0 24 238.331 2 ↓

Analogs

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Popular Name: (5S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 2.88 6.96 -30.5 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.88 6.22 -6.24 1 2 0 24 238.331 2 ↓
Hi High (pH 8-9.5) 2.88 6.98 -30.62 2 2 1 26 239.339 2 ↓

Analogs

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Popular Name: (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 2.88 6.97 -30.3 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.88 6.93 -30.67 2 2 1 26 239.339 2 ↓
Hi High (pH 8-9.5) 2.88 6.22 -6.46 1 2 0 24 238.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 2.88 6.96 -30.5 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.88 6.23 -6.4 1 2 0 24 238.331 2 ↓
Hi High (pH 8-9.5) 2.88 6.93 -30.92 2 2 1 26 239.339 2 ↓

Analogs

53159483
53159483
53159486
53159486

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Popular Name: (4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(4-fluorophenyl)e…

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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 6.98 -30.2 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.85 6.93 -29.39 2 2 1 26 239.339 2 ↓
Hi High (pH 8-9.5) 2.85 6.14 -5.55 1 2 0 24 238.331 2 ↓

Analogs

53159472
53159472
53159483
53159483
53159486
53159486

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Popular Name: (4S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(4-fluorophenyl)e…

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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 6.98 -29.76 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.85 6.9 -29.43 2 2 1 26 239.339 2 ↓
Hi High (pH 8-9.5) 2.85 6.11 -5.56 1 2 0 24 238.331 2 ↓

Analogs

53159472
53159472
53159483
53159483
53159486
53159486

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(4-fluorophenyl)e…

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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 6.99 -30.06 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.85 6.14 -5.55 1 2 0 24 238.331 2 ↓
Hi High (pH 8-9.5) 2.85 6.93 -29.38 2 2 1 26 239.339 2 ↓

Analogs

53159483
53159483
53159486
53159486

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(4-fluorophenyl)e…

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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 6.98 -29.74 2 2 1 26 239.339 3 ↓
Hi High (pH 8-9.5) 2.85 6.9 -29.41 2 2 1 26 239.339 2 ↓
Hi High (pH 8-9.5) 2.85 6.1 -5.6 1 2 0 24 238.331 2 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 4.16 9.06 -30.48 2 2 1 26 281.42 5 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 4.16 9.07 -30.36 2 2 1 26 281.42 5 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 4.16 9.06 -30.41 2 2 1 26 281.42 5 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 4.16 9.07 -30.38 2 2 1 26 281.42 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-(2-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 6.65 -28.66 2 2 1 26 241.767 3 ↓
Hi High (pH 8-9.5) 2.98 5.83 -5.49 1 2 0 24 240.759 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(2-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 6.63 -28.53 2 2 1 26 241.767 3 ↓
Hi High (pH 8-9.5) 2.98 5.81 -5.47 1 2 0 24 240.759 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(2-chlorophenyl)e…

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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) 3.85 8.35 -26.72 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.85 7.42 -5.96 1 2 0 24 268.813 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(2-chlorophenyl)e…

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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) 3.85 8.35 -26.68 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.85 7.42 -5.99 1 2 0 24 268.813 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(2-chlorophenyl)e…

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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) 3.85 8.14 -26.74 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.85 7.41 -6.01 1 2 0 24 268.813 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(2-chlorophenyl)e…

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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) 3.85 8.14 -26.65 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.85 7.41 -5.93 1 2 0 24 268.813 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1S)-1-(2-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 8.01 -25.83 2 2 1 26 269.821 3 ↓
Hi High (pH 8-9.5) 3.79 7.02 -6.15 1 2 0 24 268.813 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1R)-1-(2-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 7.99 -25.69 2 2 1 26 269.821 3 ↓
Hi High (pH 8-9.5) 3.79 7.02 -6.17 1 2 0 24 268.813 2 ↓

Analogs

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Popular Name: (5R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1-(2-chlorophenyl)e…

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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) 3.35 7.55 -27.98 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.35 6.7 -5.7 1 2 0 24 254.786 2 ↓
Hi High (pH 8-9.5) 3.35 7.52 -25.33 2 2 1 26 255.794 2 ↓

Analogs

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Popular Name: (5S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-(2-chlorophenyl)e…

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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) 3.35 7.54 -28.14 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.35 7.52 -25.53 2 2 1 26 255.794 2 ↓
Hi High (pH 8-9.5) 3.35 6.7 -5.57 1 2 0 24 254.786 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1-(2-chlorophenyl)e…

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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) 3.35 7.34 -27.83 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.35 7.32 -25.98 2 2 1 26 255.794 2 ↓
Hi High (pH 8-9.5) 3.35 6.69 -5.57 1 2 0 24 254.786 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1-(2-chlorophenyl)e…

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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) 3.35 7.33 -28 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.35 7.32 -26.14 2 2 1 26 255.794 2 ↓
Hi High (pH 8-9.5) 3.35 6.69 -5.52 1 2 0 24 254.786 2 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(2-chlorophenyl)e…

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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 7.56 -27.49 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.31 7.51 -26.36 2 2 1 26 255.794 2 ↓
Hi High (pH 8-9.5) 3.31 6.61 -6.2 1 2 0 24 254.786 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(2-chlorophenyl)e…

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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 7.54 -26.94 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.31 7.47 -26.41 2 2 1 26 255.794 2 ↓
Hi High (pH 8-9.5) 3.31 6.57 -6.36 1 2 0 24 254.786 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(2-chlorophenyl)e…

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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 7.35 -27.28 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.31 7.29 -26.32 2 2 1 26 255.794 2 ↓
Hi High (pH 8-9.5) 3.31 6.61 -6.33 1 2 0 24 254.786 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(2-chlorophenyl)e…

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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 7.34 -26.91 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.31 7.27 -26.08 2 2 1 26 255.794 2 ↓
Hi High (pH 8-9.5) 3.31 6.58 -6.27 1 2 0 24 254.786 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-(3-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 6.7 -30.08 2 2 1 26 241.767 3 ↓
Hi High (pH 8-9.5) 3.01 5.89 -4.85 1 2 0 24 240.759 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(3-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 6.7 -30 2 2 1 26 241.767 3 ↓
Hi High (pH 8-9.5) 3.01 5.88 -4.9 1 2 0 24 240.759 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.87 8.23 -28.41 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.87 7.39 -5.04 1 2 0 24 268.813 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.87 8.23 -28.42 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.87 7.39 -5.1 1 2 0 24 268.813 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 3.87 8.22 -28.4 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.87 7.4 -5.09 1 2 0 24 268.813 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 3.87 8.22 -28.38 2 2 1 26 269.821 4 ↓
Hi High (pH 8-9.5) 3.87 7.4 -5.04 1 2 0 24 268.813 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1S)-1-(3-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 8.07 -27.51 2 2 1 26 269.821 3 ↓
Hi High (pH 8-9.5) 3.82 7.01 -5.17 1 2 0 24 268.813 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1R)-1-(3-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 8.07 -27.38 2 2 1 26 269.821 3 ↓
Hi High (pH 8-9.5) 3.82 7 -5.16 1 2 0 24 268.813 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.37 7.41 -29.11 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.37 6.66 -5.35 1 2 0 24 254.786 2 ↓
Hi High (pH 8-9.5) 3.37 7.42 -28.66 2 2 1 26 255.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.37 7.4 -29.34 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.37 6.67 -5.22 1 2 0 24 254.786 2 ↓
Hi High (pH 8-9.5) 3.37 7.42 -28.82 2 2 1 26 255.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 3.37 7.41 -29.23 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.37 6.67 -5.34 1 2 0 24 254.786 2 ↓
Hi High (pH 8-9.5) 3.37 7.37 -28.95 2 2 1 26 255.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 3.37 7.4 -29.38 2 2 1 26 255.794 3 ↓
Hi High (pH 8-9.5) 3.37 6.67 -5.34 1 2 0 24 254.786 2 ↓
Hi High (pH 8-9.5) 3.37 7.37 -29.16 2 2 1 26 255.794 2 ↓

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Structural Results Found: (before additional filtering)

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