UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 2.45 -21.27 0 8 0 103 382.372 7 ↓

Analogs

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Popular Name: (1S)-1-[4-(2-quinolylmethoxy)phenyl]ethanol (1S)-1-[4-(2-quinolylmethoxy)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) 3.23 6.5 -8.26 1 3 0 42 279.339 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(2-quinolylmethoxy)phenyl]ethanol (1R)-1-[4-(2-quinolylmethoxy)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) 3.23 6.47 -8.26 1 3 0 42 279.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(2-quinolylmethoxy)phenyl]ethanol (1S)-1-[2-(2-quinolylmethoxy)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) 3.18 6.51 -7.4 1 3 0 42 279.339 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(2-quinolylmethoxy)phenyl]ethanol (1R)-1-[2-(2-quinolylmethoxy)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) 3.18 6.5 -7.42 1 3 0 42 279.339 4 ↓

Analogs

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Popular Name: [4-(2-quinolylmethoxy)phenyl]methanamine [4-(2-quinolylmethoxy)phenyl]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) 2.85 6.23 -50.68 3 3 1 50 265.336 4 ↓

Analogs

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Popular Name: [2-(2-quinolylmethoxy)phenyl]methanamine [2-(2-quinolylmethoxy)phenyl]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) 2.80 6.33 -49.49 3 3 1 50 265.336 4 ↓

Analogs

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Popular Name: [3-(2-quinolylmethoxy)phenyl]methanamine [3-(2-quinolylmethoxy)phenyl]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) 2.83 6.23 -50.81 3 3 1 50 265.336 4 ↓

Analogs

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Popular Name: 2-[4-(2-quinolylmethoxy)phenyl]ethanamine 2-[4-(2-quinolylmethoxy)phenyl]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) 2.65 6.99 -51.42 3 3 1 50 279.363 5 ↓

Analogs

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Popular Name: 2-(2-quinolylmethoxy)aniline 2-(2-quinolylmethoxy)aniline

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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 6.2 -8.3 2 3 0 48 250.301 3 ↓

Analogs

22129898
22129898

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Popular Name: 3-(2-quinolylmethoxy)aniline 3-(2-quinolylmethoxy)aniline

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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 6.08 -8.87 2 3 0 48 250.301 3 ↓

Analogs

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Popular Name: 5-methoxy-2-(quinolin-2-ylmethoxy)aniline 5-methoxy-2-(quinolin-2-ylmethox…

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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) 3.13 5.51 -9.59 2 4 0 57 280.327 4 ↓

Analogs

34234418
34234418
595716
595716

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Popular Name: 2-methyl-4-(2-quinolylmethoxy)aniline 2-methyl-4-(2-quinolylmethoxy)an…

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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 6.83 -8.89 2 3 0 48 264.328 3 ↓

Analogs

43472404
43472404

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Popular Name: 4-fluoro-2-(2-quinolylmethoxy)aniline 4-fluoro-2-(2-quinolylmethoxy)an…

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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) 3.24 6.26 -9.58 2 3 0 48 268.291 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(2-quinolylmethoxy)aniline 5-chloro-2-(2-quinolylmethoxy)an…

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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 6.72 -8.08 2 3 0 48 284.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(2-quinolylmethoxy)aniline 4-methyl-2-(2-quinolylmethoxy)an…

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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 6.86 -8.43 2 3 0 48 264.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(2-quinolylmethoxy)aniline 3-chloro-4-(2-quinolylmethoxy)an…

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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 6.63 -9.14 2 3 0 48 284.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-(quinolin-2-ylmethoxy)aniline 4-methoxy-3-(quinolin-2-ylmethox…

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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) 2.33 5.95 -10.91 2 4 0 57 280.327 4 ↓

Analogs

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Popular Name: 3,5-dibromo-4-(2-quinolylmethoxy)aniline 3,5-dibromo-4-(2-quinolylmethoxy…

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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) 4.22 7.57 -7.94 2 3 0 48 408.093 3 ↓

Analogs

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Popular Name: 2,5-dimethyl-4-(2-quinolylmethoxy)aniline 2,5-dimethyl-4-(2-quinolylmethox…

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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 7.59 -7.81 2 3 0 48 278.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(2-quinolylmethoxy)aniline 4-chloro-3-(2-quinolylmethoxy)an…

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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 6.66 -7.95 2 3 0 48 284.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-(2-quinolylmethoxy)benzonitrile 3-amino-4-(2-quinolylmethoxy)ben…

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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 6.61 -9.53 2 4 0 72 275.311 3 ↓

Analogs

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Popular Name: [3-bromo-2-(2-quinolylmethoxy)phenyl]methanamine [3-bromo-2-(2-quinolylmethoxy)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 7.05 -49.35 3 3 1 50 344.232 4 ↓
Hi High (pH 8-9.5) 3.56 6.99 -8.12 2 3 0 48 343.224 4 ↓

Analogs

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Popular Name: 3-bromo-2-(2-quinolylmethoxy)benzaldehyde 3-bromo-2-(2-quinolylmethoxy)ben…

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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 8.83 -8.58 0 3 0 39 342.192 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-bromo-2-(2-quinolylmethoxy)phenyl]methanol [3-bromo-2-(2-quinolylmethoxy)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.72 6.5 -8.04 1 3 0 42 344.208 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-chloro-2-(2-quinolylmethoxy)aniline 3-bromo-5-chloro-2-(2-quinolylme…

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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) 4.49 7.53 -6.52 2 3 0 48 363.642 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-fluoro-2-(2-quinolylmethoxy)aniline 3-bromo-5-fluoro-2-(2-quinolylme…

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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) 3.98 7.09 -6.79 2 3 0 48 347.187 3 ↓

Analogs

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Popular Name: 2-[[4-(bromomethyl)phenoxy]methyl]quinoline 2-[[4-(bromomethyl)phenoxy]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) 4.37 9.62 -7.4 0 2 0 22 328.209 4 ↓

Analogs

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Popular Name: 2-[[2-(bromomethyl)phenoxy]methyl]quinoline 2-[[2-(bromomethyl)phenoxy]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) 4.32 9.68 -7.13 0 2 0 22 328.209 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]quinoline 2-[[4-bromo-2-(bromomethyl)pheno…

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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) 5.11 10.3 -6.74 0 2 0 22 407.105 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(bromomethyl)phenoxy]methyl]quinoline 2-[[3-(bromomethyl)phenoxy]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) 4.35 9.62 -7.41 0 2 0 22 328.209 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-2-(2-quinolylmethoxy)phenyl]methanamine [5-chloro-2-(2-quinolylmethoxy)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) 3.46 6.82 -50.81 3 3 1 50 299.781 4 ↓
Hi High (pH 8-9.5) 3.46 6.41 -6.6 2 3 0 48 298.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-2-(2-quinolylmethoxy)phenyl]methanol [5-chloro-2-(2-quinolylmethoxy)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) 3.61 6.27 -8.45 1 3 0 42 299.757 4 ↓

Analogs

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Popular Name: 4-Quinolin-2-ylmethoxyphenol 4-Quinolin-2-ylmethoxyphenol

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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) 3.19 5.34 -8.17 1 3 0 42 251.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-quinolylmethoxy)phenyl]ethanamine 2-[2-(2-quinolylmethoxy)phenyl]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) 2.60 7.1 -51.06 3 3 1 50 279.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-quinolylmethoxy)phenyl]ethanamine 2-[3-(2-quinolylmethoxy)phenyl]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) 2.62 7.04 -50.34 3 3 1 50 279.363 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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