UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(8-quinolylmethylamino)benzamide 3-(8-quinolylmethylamino)benzamide

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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) 1.95 4.3 -14.91 3 4 0 68 277.327 4 ↓
Lo Low (pH 4.5-6) 1.95 4.65 -38.86 4 4 1 69 278.335 4 ↓

Analogs

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Popular Name: 3-chloro-4-methyl-N-(8-quinolylmethyl)aniline 3-chloro-4-methyl-N-(8-quinolylm…

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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) 4.21 8.72 -6.51 1 2 0 25 282.774 3 ↓
Lo Low (pH 4.5-6) 4.21 9.08 -33.48 2 2 1 26 283.782 3 ↓

Analogs

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Popular Name: 2-fluoro-6-(8-quinolylmethylamino)benzonitrile 2-fluoro-6-(8-quinolylmethylamin…

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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) 2.97 8.03 -11.58 1 3 0 49 277.302 3 ↓
Lo Low (pH 4.5-6) 2.97 8.38 -37.61 2 3 1 50 278.31 3 ↓

Analogs

14901458
14901458

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Popular Name: 2-propyl-N-(8-quinolylmethyl)aniline 2-propyl-N-(8-quinolylmethyl)ani…

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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) 4.41 9.91 -6.49 1 2 0 25 276.383 5 ↓
Lo Low (pH 4.5-6) 4.41 10.26 -30.79 2 2 1 26 277.391 5 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-(8-quinolylmethyl)aniline 4-chloro-3-fluoro-N-(8-quinolylm…

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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) 3.92 8.16 -7.13 1 2 0 25 286.737 3 ↓
Lo Low (pH 4.5-6) 3.92 8.52 -35.8 2 2 1 26 287.745 3 ↓

Analogs

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Popular Name: 3-bromo-4-(8-quinolylmethylamino)benzonitrile 3-bromo-4-(8-quinolylmethylamino…

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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 8.71 -8.82 1 3 0 49 338.208 3 ↓
Lo Low (pH 4.5-6) 3.64 9.07 -37.9 2 3 1 50 339.216 3 ↓

Analogs

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Popular Name: 2-chloro-4-iodo-N-(8-quinolylmethyl)aniline 2-chloro-4-iodo-N-(8-quinolylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 9.27 -6.01 1 2 0 25 394.643 3 ↓
Lo Low (pH 4.5-6) 4.84 9.62 -32.31 2 2 1 26 395.651 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-N-phenyl-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-methyl-N-phenyl-1-(8-quin…

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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 7.25 -38.81 3 3 1 44 278.379 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-N-phenyl-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-methyl-N-phenyl-1-(8-quin…

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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 7.91 -40.94 3 3 1 44 278.379 4 ↓

Analogs

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Popular Name: (2R)-2-anilino-2-(8-quinolyl)acetonitrile (2R)-2-anilino-2-(8-quinolyl)ace…

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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) 3.12 8.07 -10.58 1 3 0 49 259.312 3 ↓

Analogs

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Popular Name: (2S)-2-anilino-2-(8-quinolyl)acetonitrile (2S)-2-anilino-2-(8-quinolyl)ace…

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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) 3.12 8.06 -10.58 1 3 0 49 259.312 3 ↓

Analogs

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Popular Name: (2R)-2-(4-methylanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(4-methylanilino)-2-(8-qu…

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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) 3.57 8.74 -10.59 1 3 0 49 273.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-methylanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(4-methylanilino)-2-(8-qu…

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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) 3.57 8.74 -10.61 1 3 0 49 273.339 3 ↓

Analogs

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Popular Name: (2S)-2-(4-fluoroanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(4-fluoroanilino)-2-(8-qu…

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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 8.13 -11.28 1 3 0 49 277.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-fluoroanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(4-fluoroanilino)-2-(8-qu…

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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 8.13 -11.23 1 3 0 49 277.302 3 ↓

Analogs

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Popular Name: (2S)-2-(4-chloroanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(4-chloroanilino)-2-(8-qu…

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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) 3.80 8.58 -10.59 1 3 0 49 293.757 3 ↓

Analogs

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Popular Name: (2R)-2-(4-chloroanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(4-chloroanilino)-2-(8-qu…

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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) 3.80 8.58 -10.58 1 3 0 49 293.757 3 ↓

Analogs

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Popular Name: (2S)-2-(4-bromoanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(4-bromoanilino)-2-(8-qui…

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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) 3.93 8.68 -10.52 1 3 0 49 338.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromoanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(4-bromoanilino)-2-(8-qui…

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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) 3.93 8.68 -10.52 1 3 0 49 338.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-methylanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(3-methylanilino)-2-(8-qu…

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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) 3.54 8.73 -10.6 1 3 0 49 273.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-methylanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(3-methylanilino)-2-(8-qu…

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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) 3.54 8.72 -10.58 1 3 0 49 273.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-fluoroanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(3-fluoroanilino)-2-(8-qu…

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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 8.13 -10.3 1 3 0 49 277.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-fluoroanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(3-fluoroanilino)-2-(8-qu…

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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 8.13 -10.32 1 3 0 49 277.302 3 ↓

Analogs

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Popular Name: (2S)-2-(3-chloroanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(3-chloroanilino)-2-(8-qu…

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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) 3.77 8.58 -9.92 1 3 0 49 293.757 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-chloroanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(3-chloroanilino)-2-(8-qu…

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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) 3.77 8.58 -9.92 1 3 0 49 293.757 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-bromoanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(3-bromoanilino)-2-(8-qui…

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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) 3.90 8.68 -9.84 1 3 0 49 338.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-bromoanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(3-bromoanilino)-2-(8-qui…

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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) 3.90 8.68 -9.84 1 3 0 49 338.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-methylanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(2-methylanilino)-2-(8-qu…

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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) 3.52 8.87 -10.65 1 3 0 49 273.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-methylanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(2-methylanilino)-2-(8-qu…

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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) 3.52 8.86 -10.63 1 3 0 49 273.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-chloroanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(2-chloroanilino)-2-(8-qu…

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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) 3.75 8.65 -9.45 1 3 0 49 293.757 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-chloroanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(2-chloroanilino)-2-(8-qu…

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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) 3.75 8.64 -9.48 1 3 0 49 293.757 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-bromoanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(2-bromoanilino)-2-(8-qui…

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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) 3.88 8.79 -9.46 1 3 0 49 338.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-bromoanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(2-bromoanilino)-2-(8-qui…

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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) 3.88 8.78 -9.49 1 3 0 49 338.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-fluoroanilino)-2-(8-quinolyl)acetonitrile (2R)-2-(2-fluoroanilino)-2-(8-qu…

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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 8.16 -10 1 3 0 49 277.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-fluoroanilino)-2-(8-quinolyl)acetonitrile (2S)-2-(2-fluoroanilino)-2-(8-qu…

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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 8.15 -10.02 1 3 0 49 277.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-anilino-2-(8-quinolyl)acetamide (2S)-2-anilino-2-(8-quinolyl)ace…

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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) 2.07 5.05 -11.19 3 4 0 68 277.327 4 ↓
Lo Low (pH 4.5-6) 2.07 5.39 -42.91 4 4 1 69 278.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-anilino-2-(8-quinolyl)acetamide (2R)-2-anilino-2-(8-quinolyl)ace…

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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) 2.07 5.03 -11.18 3 4 0 68 277.327 4 ↓
Lo Low (pH 4.5-6) 2.07 4.59 -38.28 4 4 1 69 278.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-anilino-2-(8-quinolyl)acetic (2S)-2-anilino-2-(8-quinolyl)acetic

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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) 2.58 8.46 -62.42 1 4 -1 65 277.303 4 ↓
Lo Low (pH 4.5-6) 2.58 8.86 -46.94 2 4 0 66 278.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-anilino-2-(8-quinolyl)acetic (2R)-2-anilino-2-(8-quinolyl)acetic

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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) 2.58 8.53 -61.57 1 4 -1 65 277.303 4 ↓
Lo Low (pH 4.5-6) 2.58 8.9 -46.45 2 4 0 66 278.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-methylanilino)-2-(8-quinolyl)ethanol (2R)-2-(4-methylanilino)-2-(8-qu…

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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) 3.15 5.83 -7.96 2 3 0 45 278.355 4 ↓
Lo Low (pH 4.5-6) 3.15 6.18 -34.85 3 3 1 46 279.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-methylanilino)-2-(8-quinolyl)ethanol (2S)-2-(4-methylanilino)-2-(8-qu…

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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) 3.15 5.84 -7.96 2 3 0 45 278.355 4 ↓
Lo Low (pH 4.5-6) 3.15 6.19 -34.89 3 3 1 46 279.363 4 ↓

Analogs

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Popular Name: (2R)-2-anilino-2-(8-quinolyl)ethanol (2R)-2-anilino-2-(8-quinolyl)eth…

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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 5.16 -7.84 2 3 0 45 264.328 4 ↓
Lo Low (pH 4.5-6) 2.70 5.51 -34.92 3 3 1 46 265.336 4 ↓

Analogs

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Popular Name: (2S)-2-anilino-2-(8-quinolyl)ethanol (2S)-2-anilino-2-(8-quinolyl)eth…

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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 5.16 -7.87 2 3 0 45 264.328 4 ↓
Lo Low (pH 4.5-6) 2.70 5.52 -34.9 3 3 1 46 265.336 4 ↓

Analogs

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Popular Name: (2R)-2-(2-methylanilino)-2-(8-quinolyl)ethanol (2R)-2-(2-methylanilino)-2-(8-qu…

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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 5.94 -8.05 2 3 0 45 278.355 4 ↓
Lo Low (pH 4.5-6) 3.10 6.3 -35.11 3 3 1 46 279.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-methylanilino)-2-(8-quinolyl)ethanol (2S)-2-(2-methylanilino)-2-(8-qu…

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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 5.94 -8.04 2 3 0 45 278.355 4 ↓
Lo Low (pH 4.5-6) 3.10 6.3 -35.04 3 3 1 46 279.363 4 ↓

Analogs

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Popular Name: (2R)-2-(2-chloroanilino)-2-(8-quinolyl)ethanol (2R)-2-(2-chloroanilino)-2-(8-qu…

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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 5.74 -7.99 2 3 0 45 298.773 4 ↓
Lo Low (pH 4.5-6) 3.33 6.09 -36.99 3 3 1 46 299.781 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-chloroanilino)-2-(8-quinolyl)ethanol (2S)-2-(2-chloroanilino)-2-(8-qu…

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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 5.74 -7.95 2 3 0 45 298.773 4 ↓
Lo Low (pH 4.5-6) 3.33 6.1 -36.99 3 3 1 46 299.781 4 ↓

Analogs

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Popular Name: (2S)-2-(3-chloroanilino)-2-(8-quinolyl)ethanol (2S)-2-(3-chloroanilino)-2-(8-qu…

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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 5.66 -7.52 2 3 0 45 298.773 4 ↓
Lo Low (pH 4.5-6) 3.36 6.02 -37.24 3 3 1 46 299.781 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-chloroanilino)-2-(8-quinolyl)ethanol (2R)-2-(3-chloroanilino)-2-(8-qu…

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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 5.68 -7.52 2 3 0 45 298.773 4 ↓
Lo Low (pH 4.5-6) 3.36 6.04 -37.19 3 3 1 46 299.781 4 ↓

Analogs

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Popular Name: (2S)-2-(4-fluoroanilino)-2-(8-quinolyl)ethanol (2S)-2-(4-fluoroanilino)-2-(8-qu…

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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) 2.87 5.21 -8.08 2 3 0 45 282.318 4 ↓
Lo Low (pH 4.5-6) 2.87 5.57 -37.56 3 3 1 46 283.326 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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