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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

13719880
13719880
13719884
13719884

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Popular Name: BLAHyloxymethanedithioic BLAHyloxymethanedithioic

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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 7.79 -36.87 0 1 -1 9 227.374 2 ↓

Analogs

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Popular Name: BLAHyloxymethanedithioic BLAHyloxymethanedithioic

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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 7.74 -36.87 0 1 -1 9 227.374 2 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)BLAHamine N-(5-chloro-2-methyl-phenyl)BLAH…

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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) 6.16 10.59 -2.28 1 1 0 12 275.823 2 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)BLAHamine N-(5-chloro-2-methyl-phenyl)BLAH…

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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) 6.16 9.98 -2.29 1 1 0 12 275.823 2 ↓

Analogs

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Popular Name: N-(3-ethynylphenyl)BLAHamine N-(3-ethynylphenyl)BLAHamine

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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 10.51 -3.85 1 1 0 12 251.373 2 ↓

Analogs

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Popular Name: N-(3-ethynylphenyl)BLAHamine N-(3-ethynylphenyl)BLAHamine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 9.87 -3.56 1 1 0 12 251.373 2 ↓

Analogs

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Popular Name: N-(m-tolyl)BLAHamine N-(m-tolyl)BLAHamine

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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) 5.53 9.98 -1.96 1 1 0 12 241.378 2 ↓

Analogs

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Popular Name: N-(m-tolyl)BLAHamine N-(m-tolyl)BLAHamine

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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) 5.53 9.34 -1.94 1 1 0 12 241.378 2 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)BLAHamine N-(2,4-dimethylphenyl)BLAHamine

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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 10.73 -2.03 1 1 0 12 255.405 2 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)BLAHamine N-(2,4-dimethylphenyl)BLAHamine

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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 10.14 -1.99 1 1 0 12 255.405 2 ↓

Analogs

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Popular Name: 6-methoxy-N-BLAHyl-pyridin-3-amine 6-methoxy-N-BLAHyl-pyridin-3-amine

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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 5.99 -4.65 1 3 0 34 258.365 3 ↓

Analogs

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Popular Name: 6-methoxy-N-BLAHyl-pyridin-3-amine 6-methoxy-N-BLAHyl-pyridin-3-amine

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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 5.37 -4.5 1 3 0 34 258.365 3 ↓

Analogs

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Popular Name: N-phenylBLAHamine N-phenylBLAHamine

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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) 5.10 9.31 -1.83 1 1 0 12 227.351 2 ↓

Analogs

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Popular Name: N-phenylBLAHamine N-phenylBLAHamine

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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) 5.10 8.68 -1.78 1 1 0 12 227.351 2 ↓

Analogs

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Popular Name: N-BLAHylpyridin-3-amine N-BLAHylpyridin-3-amine

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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) 4.03 7.53 -3.86 1 2 0 25 228.339 2 ↓
Mid Mid (pH 6-8) 4.03 7.99 -31.02 2 2 1 26 229.347 2 ↓

Analogs

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Popular Name: N-BLAHylpyridin-3-amine N-BLAHylpyridin-3-amine

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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) 4.03 6.9 -3.85 1 2 0 25 228.339 2 ↓
Mid Mid (pH 6-8) 4.03 7.36 -29.59 2 2 1 26 229.347 2 ↓

Analogs

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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) 2.60 7.57 -37.03 2 3 1 43 224.324 4 ↓
Mid Mid (pH 6-8) 2.60 7.23 -4.48 1 3 0 38 223.316 4 ↓

Analogs

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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) 2.60 6.84 -41.19 2 3 1 43 224.324 4 ↓
Mid Mid (pH 6-8) 2.60 5.67 -4.32 1 3 0 38 223.316 4 ↓

Analogs

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Popular Name: N-[4-(BLAHylamino)phenyl]acetamide N-[4-(BLAHylamino)phenyl]acetamide

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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 8.23 -8.69 2 3 0 41 284.403 3 ↓

Analogs

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Popular Name: N-[4-(BLAHylamino)phenyl]acetamide N-[4-(BLAHylamino)phenyl]acetamide

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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 7.59 -9.13 2 3 0 41 284.403 3 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)BLAHamine N-(2,5-dichlorophenyl)BLAHamine

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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) 6.39 10.4 -1.48 1 1 0 12 296.241 2 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)BLAHamine N-(2,5-dichlorophenyl)BLAHamine

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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) 6.39 9.77 -1.06 1 1 0 12 296.241 2 ↓

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)BLAHamine N-(3-methylsulfanylphenyl)BLAHamine

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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) 5.51 10.33 -2.99 1 1 0 12 273.445 3 ↓

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)BLAHamine N-(3-methylsulfanylphenyl)BLAHamine

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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) 5.51 9.7 -2.72 1 1 0 12 273.445 3 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)BLAHamine N-(3-chloro-4-methyl-phenyl)BLAH…

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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) 6.16 10.42 -2.21 1 1 0 12 275.823 2 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)BLAHamine N-(3-chloro-4-methyl-phenyl)BLAH…

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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) 6.16 9.77 -2.34 1 1 0 12 275.823 2 ↓

Analogs

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Popular Name: N-(1-naphthyl)BLAHamine N-(1-naphthyl)BLAHamine

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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) 6.26 11.63 -3.39 1 1 0 12 277.411 2 ↓

Analogs

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Popular Name: N-(1-naphthyl)BLAHamine N-(1-naphthyl)BLAHamine

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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) 6.26 11.06 -3.29 1 1 0 12 277.411 2 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)BLAHamine N-(2-bromo-4-methyl-phenyl)BLAHa…

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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) 6.29 10.63 -2.17 1 1 0 12 320.274 2 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)BLAHamine N-(2-bromo-4-methyl-phenyl)BLAHa…

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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) 6.29 10.06 -1.59 1 1 0 12 320.274 2 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)BLAHamine N-(2-methoxyphenyl)BLAHamine

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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 8.73 -2.79 1 2 0 21 257.377 3 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)BLAHamine N-(2-methoxyphenyl)BLAHamine

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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 8.09 -2.72 1 2 0 21 257.377 3 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)BLAHamine N-(2,4-dimethoxyphenyl)BLAHamine

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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) 5.14 8.03 -4.18 1 3 0 30 287.403 4 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)BLAHamine N-(2,4-dimethoxyphenyl)BLAHamine

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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) 5.14 7.38 -3.83 1 3 0 30 287.403 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)BLAHamine N-(3-chloro-4-methoxy-phenyl)BLA…

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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) 5.77 9.15 -4.27 1 2 0 21 291.822 3 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)BLAHamine N-(3-chloro-4-methoxy-phenyl)BLA…

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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) 5.77 8.52 -4.33 1 2 0 21 291.822 3 ↓

Analogs

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Popular Name: N-BLAHylquinolin-8-amine N-BLAHylquinolin-8-amine

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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 9.91 -4.78 1 2 0 25 278.399 2 ↓
Mid Mid (pH 6-8) 5.06 10.4 -29.96 2 2 1 26 279.407 2 ↓

Analogs

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Popular Name: N-BLAHylquinolin-8-amine N-BLAHylquinolin-8-amine

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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 9.28 -4.76 1 2 0 25 278.399 2 ↓
Mid Mid (pH 6-8) 5.06 9.77 -29.67 2 2 1 26 279.407 2 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)BLAHamine N-(2-ethoxyphenyl)BLAHamine

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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) 5.49 9.67 -2.68 1 2 0 21 271.404 4 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)BLAHamine N-(2-ethoxyphenyl)BLAHamine

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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) 5.49 9.01 -2.56 1 2 0 21 271.404 4 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)BLAHamine N-(4-chloro-2-methoxy-5-methyl-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) 6.14 9.83 -2.83 1 2 0 21 305.849 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)BLAHamine N-(4-chloro-2-methoxy-5-methyl-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) 6.14 9.19 -2.43 1 2 0 21 305.849 3 ↓

Analogs

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Popular Name: N-[2-(trifluoromethyl)phenyl]BLAHamine N-[2-(trifluoromethyl)phenyl]BLA…

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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) 5.95 10.15 -3.09 1 1 0 12 295.348 3 ↓

Analogs

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Popular Name: N-[2-(trifluoromethyl)phenyl]BLAHamine N-[2-(trifluoromethyl)phenyl]BLA…

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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) 5.95 9.88 -2.35 1 1 0 12 295.348 3 ↓

Analogs

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Popular Name: N-[3-(trifluoromethyl)phenyl]BLAHamine N-[3-(trifluoromethyl)phenyl]BLA…

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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) 5.97 10.33 -2.72 1 1 0 12 295.348 3 ↓

Analogs

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Popular Name: N-[3-(trifluoromethyl)phenyl]BLAHamine N-[3-(trifluoromethyl)phenyl]BLA…

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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) 5.97 9.7 -2.21 1 1 0 12 295.348 3 ↓

Analogs

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Popular Name: N-(4-tert-butylphenyl)BLAHamine N-(4-tert-butylphenyl)BLAHamine

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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) 6.81 11.63 -1.53 1 1 0 12 283.459 3 ↓

Analogs

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Popular Name: N-(4-tert-butylphenyl)BLAHamine N-(4-tert-butylphenyl)BLAHamine

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Activity (Go SEA)

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) 6.81 11 -1.49 1 1 0 12 283.459 3 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)BLAHamine N-(3-chloro-2-methyl-phenyl)BLAH…

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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 10.43 -2.23 1 1 0 12 275.823 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)BLAHamine N-(3-chloro-2-methyl-phenyl)BLAH…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.9 -1.87 1 1 0 12 275.823 2 ↓

Parameters Provided:

ring.id = 4182
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 = 4182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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