UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-cyclohexyl-2-(4-methyl-3-nitro-anilino)acetic (2S)-2-cyclohexyl-2-(4-methyl-3-…

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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) 2.86 9.36 -44.86 1 6 -1 98 291.327 5 ↓

Analogs

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Popular Name: (2R)-2-cyclohexyl-2-(4-methyl-3-nitro-anilino)acetic (2R)-2-cyclohexyl-2-(4-methyl-3-…

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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) 2.86 9.55 -42.95 1 6 -1 98 291.327 5 ↓

Analogs

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Popular Name: N1-(cyclohexylmethyl)-4-methyl-benzene-1,3-diamine N1-(cyclohexylmethyl)-4-methyl-b…

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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 6.14 -2.76 3 2 0 38 218.344 3 ↓
Lo Low (pH 4.5-6) 3.94 6.64 -35.12 4 2 1 43 219.352 3 ↓

Analogs

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Popular Name: N1-(cyclohexylmethyl)-N1,4-dimethyl-benzene-1,3-diamine N1-(cyclohexylmethyl)-N1,4-dimet…

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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) 4.19 7.41 -3.04 2 2 0 29 232.371 3 ↓
Lo Low (pH 4.5-6) 4.19 8.3 -14.33 3 2 0 30 233.379 3 ↓

Analogs

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Popular Name: 4-methyl-N1-[[(1R,2S)-2-methylcyclohexyl]methyl]benzene-1,3-diamine 4-methyl-N1-[[(1R,2S)-2-methylcy…

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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) 4.18 6.38 -2.68 3 2 0 38 232.371 3 ↓
Lo Low (pH 4.5-6) 4.18 6.88 -35.49 4 2 1 43 233.379 3 ↓

Analogs

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Popular Name: 4-methyl-N1-[[(1S,2S)-2-methylcyclohexyl]methyl]benzene-1,3-diamine 4-methyl-N1-[[(1S,2S)-2-methylcy…

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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) 4.18 6.6 -2.63 3 2 0 38 232.371 3 ↓
Lo Low (pH 4.5-6) 4.18 7.1 -35.3 4 2 1 43 233.379 3 ↓

Analogs

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Popular Name: 4-methyl-N1-[[(1R,2R)-2-methylcyclohexyl]methyl]benzene-1,3-diamine 4-methyl-N1-[[(1R,2R)-2-methylcy…

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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) 4.18 6.6 -2.63 3 2 0 38 232.371 3 ↓
Lo Low (pH 4.5-6) 4.18 7.1 -35.3 4 2 1 43 233.379 3 ↓

Analogs

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Popular Name: 4-methyl-N1-[[(1S,2R)-2-methylcyclohexyl]methyl]benzene-1,3-diamine 4-methyl-N1-[[(1S,2R)-2-methylcy…

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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) 4.18 6.38 -2.68 3 2 0 38 232.371 3 ↓
Lo Low (pH 4.5-6) 4.18 6.88 -35.46 4 2 1 43 233.379 3 ↓

Analogs

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Popular Name: N1-[(4-ethylcyclohexyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(4-ethylcyclohexyl)methyl]-4…

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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) 4.40 7.4 -2.72 3 2 0 38 246.398 4 ↓
Lo Low (pH 4.5-6) 4.40 7.88 -35.45 4 2 1 43 247.406 4 ↓

Analogs

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Popular Name: N1-[(1S)-1-cyclohexylethyl]-4-methyl-benzene-1,3-diamine N1-[(1S)-1-cyclohexylethyl]-4-me…

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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) 4.94 6.73 -2.62 3 2 0 38 232.371 3 ↓
Lo Low (pH 4.5-6) 4.94 6.91 -33.16 4 2 1 43 233.379 3 ↓

Analogs

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Popular Name: N1-[(1R)-1-cyclohexylethyl]-4-methyl-benzene-1,3-diamine N1-[(1R)-1-cyclohexylethyl]-4-me…

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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) 4.94 6.52 -2.6 3 2 0 38 232.371 3 ↓
Lo Low (pH 4.5-6) 4.94 6.79 -33.53 4 2 1 43 233.379 3 ↓

Analogs

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Popular Name: N1-[(1S)-1-cyclohexylpropyl]-4-methyl-benzene-1,3-diamine N1-[(1S)-1-cyclohexylpropyl]-4-m…

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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 7.09 -2.41 3 2 0 38 246.398 4 ↓
Lo Low (pH 4.5-6) 5.48 7.48 -31.79 4 2 1 43 247.406 4 ↓

Analogs

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Popular Name: N1-[(1R)-1-cyclohexylpropyl]-4-methyl-benzene-1,3-diamine N1-[(1R)-1-cyclohexylpropyl]-4-m…

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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 7.72 -2.47 3 2 0 38 246.398 4 ↓
Lo Low (pH 4.5-6) 5.48 7.51 -32.02 4 2 1 43 247.406 4 ↓

Analogs

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Popular Name: N-[(1-aminocyclohexyl)methyl]-N-ethyl-3-methyl-aniline N-[(1-aminocyclohexyl)methyl]-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) 4.23 7.67 -36.92 3 2 1 31 247.406 4 ↓

Analogs

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Popular Name: N-[(4-aminocyclohexyl)methyl]-N-ethyl-3-methyl-aniline N-[(4-aminocyclohexyl)methyl]-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) 3.02 7.48 -46.95 3 2 1 31 247.406 4 ↓

Analogs

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Popular Name: 2-(cyclohexylmethylamino)-6-fluoro-benzonitrile 2-(cyclohexylmethylamino)-6-fluo…

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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) 3.91 7.92 -7.01 1 2 0 36 232.302 3 ↓

Analogs

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Popular Name: 3-(cyclohexylmethylamino)-N-methyl-benzamide 3-(cyclohexylmethylamino)-N-meth…

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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) 3.25 5.7 -9.96 2 3 0 41 246.354 4 ↓

Analogs

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Popular Name: 3-(cyclohexylmethylamino)benzamide 3-(cyclohexylmethylamino)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) 2.88 4.18 -10.03 3 3 0 55 232.327 4 ↓

Analogs

37874655
37874655

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Popular Name: 2-[4-(cyclohexylmethylamino)phenoxy]acetonitrile 2-[4-(cyclohexylmethylamino)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) 3.93 7.46 -7.88 1 3 0 45 244.338 5 ↓

Analogs

37787802
37787802
37787937
37787937
37787938
37787938

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Popular Name: 5-(cyclohexylmethylamino)-2-methyl-benzenesulfonamide 5-(cyclohexylmethylamino)-2-meth…

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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 3.21 -11.55 3 4 0 72 282.409 4 ↓

Analogs

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Popular Name: N1-(cyclohexylmethyl)-4-nitro-benzene-1,2-diamine N1-(cyclohexylmethyl)-4-nitro-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) 3.45 6.35 -7.46 3 5 0 84 249.314 4 ↓

Analogs

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Popular Name: N1-(cyclohexylmethyl)-N1-methyl-4-nitro-benzene-1,2-diamine N1-(cyclohexylmethyl)-N1-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) 3.70 8.6 -4.81 2 5 0 75 263.341 4 ↓

Analogs

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Popular Name: N1-[[(1S,2R)-2-methylcyclohexyl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(1S,2R)-2-methylcyclohexyl]…

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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) 3.69 6.59 -7.41 3 5 0 84 263.341 4 ↓

Analogs

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Popular Name: N1-[[(1S,2S)-2-methylcyclohexyl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(1S,2S)-2-methylcyclohexyl]…

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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) 3.69 6.81 -7.3 3 5 0 84 263.341 4 ↓

Analogs

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Popular Name: N1-[[(1R,2R)-2-methylcyclohexyl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(1R,2R)-2-methylcyclohexyl]…

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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) 3.69 6.81 -7.31 3 5 0 84 263.341 4 ↓

Analogs

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Popular Name: N1-[[(1R,2S)-2-methylcyclohexyl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(1R,2S)-2-methylcyclohexyl]…

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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) 3.69 6.59 -7.4 3 5 0 84 263.341 4 ↓

Analogs

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Popular Name: N1-[(4-ethylcyclohexyl)methyl]-4-nitro-benzene-1,2-diamine N1-[(4-ethylcyclohexyl)methyl]-4…

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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) 3.91 7.34 -7.43 3 5 0 84 277.368 5 ↓

Analogs

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Popular Name: N1-[(1S)-1-cyclohexylethyl]-4-nitro-benzene-1,2-diamine N1-[(1S)-1-cyclohexylethyl]-4-ni…

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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) 4.45 6.94 -7.35 3 5 0 84 263.341 4 ↓

Analogs

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Popular Name: N1-[(1R)-1-cyclohexylethyl]-4-nitro-benzene-1,2-diamine N1-[(1R)-1-cyclohexylethyl]-4-ni…

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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) 4.45 6.93 -7.34 3 5 0 84 263.341 4 ↓

Analogs

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Popular Name: N1-[(1S)-1-cyclohexylpropyl]-4-nitro-benzene-1,2-diamine N1-[(1S)-1-cyclohexylpropyl]-4-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) 4.99 7.28 -7.4 3 5 0 84 277.368 5 ↓

Analogs

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Popular Name: N1-[(1R)-1-cyclohexylpropyl]-4-nitro-benzene-1,2-diamine N1-[(1R)-1-cyclohexylpropyl]-4-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) 4.99 8.01 -7.47 3 5 0 84 277.368 5 ↓

Analogs

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Popular Name: (2S)-2-(4-chloro-2-cyano-anilino)-2-cyclohexyl-acetic (2S)-2-(4-chloro-2-cyano-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) 2.89 9.1 -42.93 1 4 -1 76 291.758 4 ↓

Analogs

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Popular Name: (2R)-2-(4-chloro-2-cyano-anilino)-2-cyclohexyl-acetic (2R)-2-(4-chloro-2-cyano-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) 2.89 8.99 -42.64 1 4 -1 76 291.758 4 ↓

Analogs

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Popular Name: (2S)-2-(2-carbamoyl-4-chloro-anilino)-2-cyclohexyl-acetic (2S)-2-(2-carbamoyl-4-chloro-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) 1.95 5.86 -49.95 3 5 -1 95 309.773 5 ↓

Analogs

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Popular Name: (2R)-2-(2-carbamoyl-4-chloro-anilino)-2-cyclohexyl-acetic (2R)-2-(2-carbamoyl-4-chloro-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) 1.95 5.71 -52.68 3 5 -1 95 309.773 5 ↓

Analogs

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Popular Name: 2-[1-[(4-chloro-2-cyano-anilino)methyl]cyclohexyl]acetic 2-[1-[(4-chloro-2-cyano-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) 3.66 9.16 -48.08 1 4 -1 76 305.785 5 ↓
Lo Low (pH 4.5-6) 3.66 7.18 -8.64 2 4 0 73 306.793 5 ↓

Analogs

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Popular Name: 2-(aminomethyl)-4-chloro-N-(cyclohexylmethyl)-N-methyl-aniline 2-(aminomethyl)-4-chloro-N-(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) 4.12 8.24 -44.76 3 2 1 31 267.824 4 ↓
Hi High (pH 8-9.5) 4.12 7.83 -1.56 2 2 0 29 266.816 4 ↓

Analogs

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Popular Name: 5-chloro-2-[cyclohexylmethyl(methyl)amino]benzamidine 5-chloro-2-[cyclohexylmethyl(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) 3.32 7.88 -31.62 4 3 1 55 280.823 4 ↓
Hi High (pH 8-9.5) 3.32 8.94 -2.38 3 3 0 53 279.815 4 ↓

Analogs

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Popular Name: 5-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-benzamidine 5-chloro-2-[cyclohexylmethyl(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) 3.25 7.88 -3.71 3 4 0 62 295.814 4 ↓
Lo Low (pH 4.5-6) 3.25 6.86 -29.61 4 4 1 63 296.822 4 ↓

Analogs

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Popular Name: (2S)-2-(3-chloro-2-cyano-anilino)-2-cyclohexyl-acetic (2S)-2-(3-chloro-2-cyano-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) 2.86 9.01 -44.95 1 4 -1 76 291.758 4 ↓

Analogs

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Popular Name: (2R)-2-(3-chloro-2-cyano-anilino)-2-cyclohexyl-acetic (2R)-2-(3-chloro-2-cyano-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) 2.86 8.89 -44.55 1 4 -1 76 291.758 4 ↓

Analogs

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Popular Name: (2S)-2-(2-carbamoyl-3-chloro-anilino)-2-cyclohexyl-acetic (2S)-2-(2-carbamoyl-3-chloro-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) 1.93 5.27 -43.64 3 5 -1 95 309.773 5 ↓

Analogs

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Popular Name: (2R)-2-(2-carbamoyl-3-chloro-anilino)-2-cyclohexyl-acetic (2R)-2-(2-carbamoyl-3-chloro-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) 1.93 5.14 -53.08 3 5 -1 95 309.773 5 ↓

Analogs

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Popular Name: 2-[1-[(3-chloro-2-cyano-anilino)methyl]cyclohexyl]acetic 2-[1-[(3-chloro-2-cyano-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) 3.64 9.06 -51.02 1 4 -1 76 305.785 5 ↓
Lo Low (pH 4.5-6) 3.64 7.08 -10.37 2 4 0 73 306.793 5 ↓

Analogs

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Popular Name: 2-chloro-6-(cyclohexylmethylamino)benzenecarbothioamide 2-chloro-6-(cyclohexylmethylamin…

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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) 4.46 7.16 -10.24 3 2 0 38 282.84 4 ↓

Analogs

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Popular Name: 2-chloro-6-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-benzamidine 2-chloro-6-[cyclohexylmethyl(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) 3.22 6.48 -5.54 3 4 0 62 295.814 4 ↓
Lo Low (pH 4.5-6) 3.22 6.07 -26.76 4 4 1 63 296.822 4 ↓

Analogs

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Popular Name: 2-chloro-6-[cyclohexylmethyl(methyl)amino]benzamidine 2-chloro-6-[cyclohexylmethyl(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) 3.30 7.08 -28.07 4 3 1 55 280.823 4 ↓
Hi High (pH 8-9.5) 3.30 7.53 -4.16 3 3 0 53 279.815 4 ↓

Analogs

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Popular Name: 2-chloro-6-[cyclohexylmethyl(methyl)amino]benzenecarbothioamide 2-chloro-6-[cyclohexylmethyl(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) 4.71 9.27 -9.48 2 2 0 29 296.867 4 ↓

Analogs

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Popular Name: 2-chloro-6-[[(1S,2R)-2-methylcyclohexyl]methylamino]benzenecarbothioamide 2-chloro-6-[[(1S,2R)-2-methylcyc…

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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 7.4 -10.47 3 2 0 38 296.867 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(1S,2S)-2-methylcyclohexyl]methylamino]benzenecarbothioamide 2-chloro-6-[[(1S,2S)-2-methylcyc…

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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 7.63 -10.48 3 2 0 38 296.867 4 ↓

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