UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-naphthylmethylamino)benzamide 3-(2-naphthylmethylamino)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) 3.17 6.07 -12.54 3 3 0 55 276.339 4 ↓

Analogs

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Popular Name: 2-methyl-N-(2-naphthylmethyl)aniline 2-methyl-N-(2-naphthylmethyl)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) 4.78 10.14 -4.3 1 1 0 12 247.341 3 ↓

Analogs

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Popular Name: 3,5-difluoro-N-[(1R)-1-(2-naphthyl)ethyl]aniline 3,5-difluoro-N-[(1R)-1-(2-naphth…

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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) 5.19 10.24 -5.4 1 1 0 12 283.321 3 ↓

Analogs

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Popular Name: 3,5-difluoro-N-[(1S)-1-(2-naphthyl)ethyl]aniline 3,5-difluoro-N-[(1S)-1-(2-naphth…

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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) 5.19 10.22 -5.4 1 1 0 12 283.321 3 ↓

Analogs

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Popular Name: 3-bromo-N-[(1R)-1-(2-naphthyl)ethyl]aniline 3-bromo-N-[(1R)-1-(2-naphthyl)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) 5.72 10.71 -5.2 1 1 0 12 326.237 3 ↓

Analogs

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Popular Name: 3-bromo-N-[(1S)-1-(2-naphthyl)ethyl]aniline 3-bromo-N-[(1S)-1-(2-naphthyl)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) 5.72 10.71 -4.83 1 1 0 12 326.237 3 ↓

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(1R)-1-(2-naphthyl)ethyl]aniline 3-fluoro-4-methyl-N-[(1R)-1-(2-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) 5.48 10.82 -6.17 1 1 0 12 279.358 3 ↓

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(1S)-1-(2-naphthyl)ethyl]aniline 3-fluoro-4-methyl-N-[(1S)-1-(2-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) 5.48 10.81 -6.17 1 1 0 12 279.358 3 ↓

Analogs

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Popular Name: 3-fluoro-N-(2-naphthylmethyl)aniline 3-fluoro-N-(2-naphthylmethyl)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) 4.52 9.42 -5.29 1 1 0 12 251.304 3 ↓

Analogs

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Popular Name: 2,4-difluoro-N-[(1R)-1-(2-naphthyl)ethyl]aniline 2,4-difluoro-N-[(1R)-1-(2-naphth…

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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) 5.19 10.25 -5.37 1 1 0 12 283.321 3 ↓

Analogs

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Popular Name: 2,4-difluoro-N-[(1S)-1-(2-naphthyl)ethyl]aniline 2,4-difluoro-N-[(1S)-1-(2-naphth…

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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) 5.19 10.24 -5.35 1 1 0 12 283.321 3 ↓

Analogs

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Popular Name: N-[(6-methoxy-2-naphthyl)methyl]-4-methyl-aniline N-[(6-methoxy-2-naphthyl)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) 4.86 9.32 -5.75 1 2 0 21 277.367 4 ↓

Analogs

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Popular Name: 2,3-dichloro-N-[(1R)-1-(2-naphthyl)ethyl]aniline 2,3-dichloro-N-[(1R)-1-(2-naphth…

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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) 6.20 11.14 -5.35 1 1 0 12 316.231 3 ↓

Analogs

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Popular Name: 2,3-dichloro-N-[(1S)-1-(2-naphthyl)ethyl]aniline 2,3-dichloro-N-[(1S)-1-(2-naphth…

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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) 6.20 11.13 -5.35 1 1 0 12 316.231 3 ↓

Analogs

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Popular Name: 3-ethyl-N-(2-naphthylmethyl)aniline 3-ethyl-N-(2-naphthylmethyl)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) 5.27 10.77 -4.17 1 1 0 12 261.368 4 ↓

Analogs

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Popular Name: 3-methyl-N-(2-naphthylmethyl)aniline 3-methyl-N-(2-naphthylmethyl)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) 4.80 10.01 -4.36 1 1 0 12 247.341 3 ↓

Analogs

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Popular Name: 4-bromo-N-[(1R)-1-(2-naphthyl)ethyl]aniline 4-bromo-N-[(1R)-1-(2-naphthyl)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) 5.75 10.72 -4.98 1 1 0 12 326.237 3 ↓

Analogs

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Popular Name: 4-bromo-N-[(1S)-1-(2-naphthyl)ethyl]aniline 4-bromo-N-[(1S)-1-(2-naphthyl)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) 5.75 10.71 -4.99 1 1 0 12 326.237 3 ↓

Analogs

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Popular Name: 2-fluoro-6-(2-naphthylmethylamino)benzonitrile 2-fluoro-6-(2-naphthylmethylamin…

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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) 4.20 9.79 -10.15 1 2 0 36 276.314 3 ↓

Analogs

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Popular Name: 2-iodo-N-(2-naphthylmethyl)aniline 2-iodo-N-(2-naphthylmethyl)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) 5.41 10.55 -4.07 1 1 0 12 359.21 3 ↓

Analogs

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Popular Name: 4-iodo-N-(2-naphthylmethyl)aniline 4-iodo-N-(2-naphthylmethyl)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) 5.46 10.45 -4.16 1 1 0 12 359.21 3 ↓

Analogs

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Popular Name: 2-chloro-4-methyl-N-(2-naphthylmethyl)aniline 2-chloro-4-methyl-N-(2-naphthylm…

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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) 5.43 10.6 -4.2 1 1 0 12 281.786 3 ↓

Analogs

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Popular Name: 3-chloro-4-fluoro-N-(2-naphthylmethyl)aniline 3-chloro-4-fluoro-N-(2-naphthylm…

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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) 5.15 9.92 -5.99 1 1 0 12 285.749 3 ↓

Analogs

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Popular Name: 2-chloro-4-fluoro-N-(2-naphthylmethyl)aniline 2-chloro-4-fluoro-N-(2-naphthylm…

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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) 5.15 10.02 -4.75 1 1 0 12 285.749 3 ↓

Analogs

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Popular Name: 2,6-difluoro-N-(2-naphthylmethyl)aniline 2,6-difluoro-N-(2-naphthylmethyl…

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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) 4.61 9.32 -5.41 1 1 0 12 269.294 3 ↓

Analogs

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Popular Name: 3-iodo-N-(2-naphthylmethyl)aniline 3-iodo-N-(2-naphthylmethyl)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) 5.44 10.44 -4.26 1 1 0 12 359.21 3 ↓

Analogs

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Popular Name: 2-fluoro-4-methyl-N-(2-naphthylmethyl)aniline 2-fluoro-4-methyl-N-(2-naphthylm…

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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) 4.92 10.09 -4.93 1 1 0 12 265.331 3 ↓

Analogs

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Popular Name: 2-fluoro-5-methyl-N-(2-naphthylmethyl)aniline 2-fluoro-5-methyl-N-(2-naphthylm…

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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) 4.92 10.09 -4.94 1 1 0 12 265.331 3 ↓

Analogs

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Popular Name: 3-chloro-2-fluoro-N-(2-naphthylmethyl)aniline 3-chloro-2-fluoro-N-(2-naphthylm…

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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) 5.12 9.93 -5.88 1 1 0 12 285.749 3 ↓

Analogs

1042198
1042198

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Popular Name: N-(2-naphthylmethyl)-2-propyl-aniline N-(2-naphthylmethyl)-2-propyl-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) 5.63 11.67 -3.77 1 1 0 12 275.395 5 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-(2-naphthylmethyl)aniline 4-chloro-3-fluoro-N-(2-naphthylm…

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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) 5.15 9.92 -5.69 1 1 0 12 285.749 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[(1S)-1-(2-naphthyl)ethyl]aniline 4-chloro-3-fluoro-N-[(1S)-1-(2-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) 5.71 10.68 -5.83 1 1 0 12 299.776 3 ↓

Analogs

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Popular Name: 4-chloro-3-fluoro-N-[(1R)-1-(2-naphthyl)ethyl]aniline 4-chloro-3-fluoro-N-[(1R)-1-(2-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) 5.71 10.67 -5.86 1 1 0 12 299.776 3 ↓

Analogs

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Popular Name: 3-bromo-4-(2-naphthylmethylamino)benzonitrile 3-bromo-4-(2-naphthylmethylamino…

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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) 4.87 10.48 -7.57 1 2 0 36 337.22 3 ↓

Analogs

315241
315241

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Popular Name: 5-bromo-2-methyl-N-(2-naphthylmethyl)aniline 5-bromo-2-methyl-N-(2-naphthylme…

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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) 5.56 10.76 -4.1 1 1 0 12 326.237 3 ↓

Analogs

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Popular Name: 5-bromo-2-methyl-N-[(1S)-1-(2-naphthyl)ethyl]aniline 5-bromo-2-methyl-N-[(1S)-1-(2-na…

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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) 6.12 11.51 -4.52 1 1 0 12 340.264 3 ↓

Analogs

19941723
19941723
19941725
19941725

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Popular Name: 5-bromo-2-methyl-N-[(1R)-1-(2-naphthyl)ethyl]aniline 5-bromo-2-methyl-N-[(1R)-1-(2-na…

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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) 6.12 11.5 -4.54 1 1 0 12 340.264 3 ↓

Analogs

48462431
48462431
1218117
1218117
1217504
1217504

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Popular Name: 2-chloro-4-iodo-N-(2-naphthylmethyl)aniline 2-chloro-4-iodo-N-(2-naphthylmet…

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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) 6.07 11.03 -4.15 1 1 0 12 393.655 3 ↓

Analogs

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Popular Name: 2-chloro-4-iodo-N-[(1S)-1-(2-naphthyl)ethyl]aniline 2-chloro-4-iodo-N-[(1S)-1-(2-nap…

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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) 6.63 11.78 -4.22 1 1 0 12 407.682 3 ↓

Analogs

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Popular Name: 2-chloro-4-iodo-N-[(1R)-1-(2-naphthyl)ethyl]aniline 2-chloro-4-iodo-N-[(1R)-1-(2-nap…

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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) 6.63 11.77 -4.21 1 1 0 12 407.682 3 ↓

Analogs

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Popular Name: 2-fluoro-4-[[(1S)-1-(2-naphthyl)ethyl]amino]phenol 2-fluoro-4-[[(1S)-1-(2-naphthyl)…

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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) 4.81 7.32 -7.33 2 2 0 32 281.33 3 ↓

Analogs

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Popular Name: 2-fluoro-4-[[(1R)-1-(2-naphthyl)ethyl]amino]phenol 2-fluoro-4-[[(1R)-1-(2-naphthyl)…

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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) 4.81 7.3 -7.33 2 2 0 32 281.33 3 ↓

Analogs

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Popular Name: 2-fluoro-4-(2-naphthylmethylamino)phenol 2-fluoro-4-(2-naphthylmethylamin…

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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) 4.25 6.55 -7.13 2 2 0 32 267.303 3 ↓

Analogs

258933
258933
329968
329968

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Popular Name: 2-(2-naphthylmethylamino)benzoic 2-(2-naphthylmethylamino)benzoic

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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) 4.42 10.17 -52.06 1 3 -1 52 276.315 4 ↓
Lo Low (pH 4.5-6) 4.42 8.18 -8.2 2 3 0 49 277.323 4 ↓

Analogs

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Popular Name: 3-fluoro-4-methoxy-N-(2-naphthylmethyl)aniline 3-fluoro-4-methoxy-N-(2-naphthyl…

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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) 4.53 8.71 -7.37 1 2 0 21 281.33 4 ↓

Analogs

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Popular Name: 4-(2-naphthylmethylamino)benzoic 4-(2-naphthylmethylamino)benzoic

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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) 4.29 9.92 -52.66 1 3 -1 52 276.315 4 ↓
Lo Low (pH 4.5-6) 4.29 7.93 -8.47 2 3 0 49 277.323 4 ↓

Analogs

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Popular Name: 3-(2-naphthylmethylamino)benzoic 3-(2-naphthylmethylamino)benzoic

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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) 4.26 9.9 -52.74 1 3 -1 52 276.315 4 ↓

Analogs

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Popular Name: (1S)-1-[2-(2-naphthylmethylamino)phenyl]ethanol (1S)-1-[2-(2-naphthylmethylamino…

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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) 3.89 7.79 -5.38 2 2 0 32 277.367 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(2-naphthylmethylamino)phenyl]ethanol (1R)-1-[2-(2-naphthylmethylamino…

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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) 3.89 7.78 -5.42 2 2 0 32 277.367 4 ↓

Analogs

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Popular Name: (2S)-2-(4-chloroanilino)-2-(2-naphthyl)ethanol (2S)-2-(4-chloroanilino)-2-(2-na…

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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) 4.61 7.43 -5.91 2 2 0 32 297.785 4 ↓

Parameters Provided:

ring.id = 24319
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 24319 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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