UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-methyl-3-nitro-anilino)cycloheptanecarboxylic 1-(4-methyl-3-nitro-anilino)cycl…

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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) 1.88 9.2 -41.7 1 6 -1 98 291.327 4 ↓
Lo Low (pH 4.5-6) 1.88 7.4 -7.56 2 6 0 95 292.335 4 ↓

Analogs

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Popular Name: N1-cycloheptyl-4-methyl-benzene-1,3-diamine N1-cycloheptyl-4-methyl-benzene-…

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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) 4.73 5.72 -2.77 3 2 0 38 218.344 2 ↓
Lo Low (pH 4.5-6) 4.73 5.94 -33.78 4 2 1 43 219.352 2 ↓

Analogs

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Popular Name: N1-cycloheptyl-N1,4-dimethyl-benzene-1,3-diamine N1-cycloheptyl-N1,4-dimethyl-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) 4.31 7.32 -3 2 2 0 29 232.371 2 ↓
Lo Low (pH 4.5-6) 4.31 7.62 -14.83 3 2 0 30 233.379 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(N-ethyl-3-methyl-anilino)cycloheptanecarbonitrile (1S,2R)-2-(N-ethyl-3-methyl-anil…

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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) 4.90 10.4 -6.6 0 2 0 27 256.393 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(N-ethyl-3-methyl-anilino)cycloheptanecarbonitrile (1S,2S)-2-(N-ethyl-3-methyl-anil…

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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) 4.90 10.37 -6.87 0 2 0 27 256.393 3 ↓

Analogs

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Popular Name: N-(3-nitrophenyl)cycloheptanamine N-(3-nitrophenyl)cycloheptanamine

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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 7.77 -5.9 1 4 0 58 234.299 3 ↓

Analogs

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Popular Name: 3-(cycloheptylamino)-N-methyl-benzamide 3-(cycloheptylamino)-N-methyl-be…

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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) 4.04 5.31 -9.94 2 3 0 41 246.354 3 ↓

Analogs

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Popular Name: 3-(cycloheptylamino)benzamide 3-(cycloheptylamino)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) 3.67 3.89 -10.06 3 3 0 55 232.327 3 ↓

Analogs

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Popular Name: 2-[4-(cycloheptylamino)phenoxy]acetonitrile 2-[4-(cycloheptylamino)phenoxy]a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.71 7.08 -8.32 1 3 0 45 244.338 4 ↓

Analogs

37787769
37787769
37787824
37787824
37787825
37787825
37787827
37787827
37787939
37787939

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Popular Name: 5-(cycloheptylamino)-2-methyl-benzenesulfonamide 5-(cycloheptylamino)-2-methyl-be…

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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) 3.94 2.91 -11.48 3 4 0 72 282.409 3 ↓

Analogs

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Popular Name: N1-cycloheptyl-4-nitro-benzene-1,2-diamine N1-cycloheptyl-4-nitro-benzene-1…

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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) 4.24 5.92 -7.18 3 5 0 84 249.314 3 ↓

Analogs

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Popular Name: N1-cycloheptyl-N1-methyl-4-nitro-benzene-1,2-diamine N1-cycloheptyl-N1-methyl-4-nitro…

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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 8.2 -4.61 2 5 0 75 263.341 3 ↓

Analogs

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Popular Name: 1-(4-chloro-2-cyano-anilino)cycloheptanecarboxylic 1-(4-chloro-2-cyano-anilino)cycl…

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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) 1.90 8.75 -39.79 1 4 -1 76 291.758 3 ↓
Lo Low (pH 4.5-6) 1.90 7 -5.54 2 4 0 73 292.766 3 ↓

Analogs

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Popular Name: 1-(2-carbamoyl-4-chloro-anilino)cycloheptanecarboxylic 1-(2-carbamoyl-4-chloro-anilino)…

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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) 0.97 5.5 -48.72 3 5 -1 95 309.773 4 ↓
Lo Low (pH 4.5-6) 0.97 3.59 -7.73 4 5 0 92 310.781 4 ↓

Analogs

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Popular Name: N-[2-(aminomethyl)-4-chloro-phenyl]-N-methyl-cycloheptanamine N-[2-(aminomethyl)-4-chloro-phen…

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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) 4.24 7.94 -43.79 3 2 1 31 267.824 3 ↓
Hi High (pH 8-9.5) 4.24 7.53 -1.37 2 2 0 29 266.816 3 ↓

Analogs

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Popular Name: 5-chloro-2-[cycloheptyl(methyl)amino]benzamidine 5-chloro-2-[cycloheptyl(methyl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 7.33 -31.54 4 3 1 55 280.823 3 ↓
Hi High (pH 8-9.5) 3.44 8.57 -1.97 3 3 0 53 279.815 3 ↓

Analogs

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Popular Name: 5-chloro-2-[cycloheptyl(methyl)amino]-N'-hydroxy-benzamidine 5-chloro-2-[cycloheptyl(methyl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 7.51 -3.14 3 4 0 62 295.814 3 ↓
Lo Low (pH 4.5-6) 3.37 6.32 -29.13 4 4 1 63 296.822 3 ↓

Analogs

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Popular Name: 1-[4-(cycloheptylamino)phenyl]ethanone 1-[4-(cycloheptylamino)phenyl]et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.77 7.55 -7.21 1 2 0 29 231.339 3 ↓

Analogs

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Popular Name: 2-(cycloheptylamino)-5-fluoro-benzonitrile 2-(cycloheptylamino)-5-fluoro-be…

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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) 4.72 7.51 -4.48 1 2 0 36 232.302 2 ↓

Analogs

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Popular Name: 1-(3-chloro-2-cyano-anilino)cycloheptanecarboxylic 1-(3-chloro-2-cyano-anilino)cycl…

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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) 1.88 8.66 -40.72 1 4 -1 76 291.758 3 ↓
Lo Low (pH 4.5-6) 1.88 6.9 -7.04 2 4 0 73 292.766 3 ↓

Analogs

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Popular Name: 1-(2-carbamoyl-3-chloro-anilino)cycloheptanecarboxylic 1-(2-carbamoyl-3-chloro-anilino)…

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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) 0.94 5.09 -49.65 3 5 -1 95 309.773 4 ↓
Lo Low (pH 4.5-6) 0.94 3.18 -9.05 4 5 0 92 310.781 4 ↓

Analogs

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Popular Name: 2-chloro-6-[cycloheptyl(methyl)amino]-N'-hydroxy-benzamidine 2-chloro-6-[cycloheptyl(methyl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 5.92 -5.5 3 4 0 62 295.814 3 ↓
Lo Low (pH 4.5-6) 3.35 5.74 -25.84 4 4 1 63 296.822 3 ↓

Analogs

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Popular Name: 2-chloro-6-(cycloheptylamino)benzenecarbothioamide 2-chloro-6-(cycloheptylamino)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) 5.25 6.73 -9.97 3 2 0 38 282.84 3 ↓

Analogs

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Popular Name: 2-chloro-6-[cycloheptyl(methyl)amino]benzamidine 2-chloro-6-[cycloheptyl(methyl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 6.76 -27.48 4 3 1 55 280.823 3 ↓
Hi High (pH 8-9.5) 3.42 6.96 -4.22 3 3 0 53 279.815 3 ↓

Analogs

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Popular Name: 2-chloro-6-[cycloheptyl(methyl)amino]benzenecarbothioamide 2-chloro-6-[cycloheptyl(methyl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.83 8.95 -9.12 2 2 0 29 296.867 3 ↓

Analogs

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Popular Name: N1-cycloheptyl-2-nitro-benzene-1,4-diamine N1-cycloheptyl-2-nitro-benzene-1…

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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) 3.84 5.84 -6.97 3 5 0 84 249.314 3 ↓

Analogs

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Popular Name: 2-(cycloheptylamino)-5-fluoro-benzoic 2-(cycloheptylamino)-5-fluoro-be…

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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) 5.06 7.96 -46.23 1 3 -1 52 250.293 3 ↓
Lo Low (pH 4.5-6) 5.06 7.96 -37.45 2 3 0 57 251.301 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)cycloheptanamine N-(5-chloro-2-methyl-phenyl)cycl…

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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) 5.93 8.36 -2.85 1 1 0 12 237.774 2 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)cycloheptanamine N-(4-fluoro-2-methyl-phenyl)cycl…

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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 8.02 -3.49 1 1 0 12 221.319 2 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)cycloheptanamine N-(2,5-dimethylphenyl)cyclohepta…

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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) 5.70 8.51 -2.66 1 1 0 12 217.356 2 ↓

Analogs

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Popular Name: N-(4-pentylphenyl)cycloheptanamine N-(4-pentylphenyl)cycloheptanamine

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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) 7.24 10.84 -1.98 1 1 0 12 259.437 6 ↓

Analogs

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Popular Name: N4-cycloheptyl-N1,N1-dimethyl-benzene-1,4-diamine N4-cycloheptyl-N1,N1-dimethyl-be…

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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) 4.97 7.48 -2.87 1 2 0 15 232.371 3 ↓

Analogs

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Popular Name: N-(4-methyl-2-nitro-phenyl)cycloheptanamine N-(4-methyl-2-nitro-phenyl)cyclo…

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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) 5.21 8.69 -6.29 1 4 0 58 248.326 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-nitro-phenyl)cycloheptanamine N-(5-chloro-2-nitro-phenyl)cyclo…

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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 8.62 -3.71 1 4 0 58 268.744 3 ↓

Analogs

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Popular Name: N-[5-(dimethylaminomethyl)-2-methoxy-phenyl]cycloheptanamine N-[5-(dimethylaminomethyl)-2-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) 4.66 8.36 -36.1 2 3 1 26 277.432 5 ↓

Analogs

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Popular Name: N-[4-(2,2,2-trifluoroethoxy)phenyl]cycloheptanamine N-[4-(2,2,2-trifluoroethoxy)phen…

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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) 5.86 7.74 -4.2 1 2 0 21 287.325 5 ↓

Analogs

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Popular Name: 2-chloro-5-(cycloheptylamino)benzonitrile 2-chloro-5-(cycloheptylamino)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) 5.23 7.86 -5.11 1 2 0 36 248.757 2 ↓

Analogs

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Popular Name: 4-(cycloheptylamino)-3-(trifluoromethyl)benzonitrile 4-(cycloheptylamino)-3-(trifluor…

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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) 5.45 8.65 -5.21 1 2 0 36 282.309 3 ↓

Analogs

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Popular Name: N-(2-propylphenyl)cycloheptanamine N-(2-propylphenyl)cycloheptanamine

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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) 6.13 9.36 -1.56 1 1 0 12 231.383 4 ↓

Analogs

47882866
47882866
19915775
19915775

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Popular Name: 3-(cycloheptylamino)-N-methyl-benzenesulfonamide 3-(cycloheptylamino)-N-methyl-be…

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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 3.24 -8.69 2 4 0 58 282.409 4 ↓

Analogs

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Popular Name: N-[4-(trifluoromethylsulfanyl)phenyl]cycloheptanamine N-[4-(trifluoromethylsulfanyl)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) 8.62 8.55 -2.21 1 1 0 12 289.366 4 ↓

Analogs

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Popular Name: N-[4-(cycloheptylamino)phenyl]propanamide N-[4-(cycloheptylamino)phenyl]pr…

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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) 4.93 6.77 -8.57 2 3 0 41 260.381 4 ↓

Analogs

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Popular Name: 2-[4-(cycloheptylamino)phenyl]-N,N-dimethyl-acetamide 2-[4-(cycloheptylamino)phenyl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 7.97 -9.31 1 3 0 32 274.408 4 ↓

Analogs

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Popular Name: N-[3-(2-dimethylaminoethyloxy)phenyl]cycloheptanamine N-[3-(2-dimethylaminoethyloxy)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) 4.93 8.75 -33.49 2 3 1 26 277.432 6 ↓

Analogs

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Popular Name: 4-chloro-3-(cycloheptylamino)-N-methyl-benzamide 4-chloro-3-(cycloheptylamino)-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) 4.67 5.92 -7.54 2 3 0 41 280.799 3 ↓

Analogs

37777570
37777570
37780262
37780262

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Popular Name: 2-[3-(cycloheptylamino)phenoxy]acetonitrile 2-[3-(cycloheptylamino)phenoxy]a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 7.07 -7.59 1 3 0 45 244.338 4 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)cycloheptanamine N-(4-chloro-3-fluoro-phenyl)cycl…

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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) 5.64 7.63 -3.36 1 1 0 12 241.737 2 ↓

Analogs

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Popular Name: 2-[4-(cycloheptylamino)phenyl]acetonitrile 2-[4-(cycloheptylamino)phenyl]ac…

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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 8.24 -7 1 2 0 36 228.339 3 ↓

Analogs

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Popular Name: 2-[2-(cycloheptylamino)phenyl]sulfanylacetamide 2-[2-(cycloheptylamino)phenyl]su…

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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) 3.99 5.09 -9.44 3 3 0 55 278.421 5 ↓

Analogs

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Popular Name: 3-bromo-4-(cycloheptylamino)benzonitrile 3-bromo-4-(cycloheptylamino)benz…

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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) 5.37 8.15 -4.45 1 2 0 36 293.208 2 ↓

Parameters Provided:

ring.id = 5265
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 = 5265 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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