UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(5-methyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-methyl-1H-1,2,4-triazol-3-y…

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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) 1.22 5.75 -11.14 2 4 0 65 234.328 1 ↓
Mid Mid (pH 6-8) 1.97 5.52 -9.04 3 4 0 68 234.328 1 ↓

Analogs

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Popular Name: 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-ethyl-1H-1,2,4-triazol-3-yl…

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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) 1.79 6.38 -10.67 2 4 0 65 248.355 2 ↓
Mid Mid (pH 6-8) 2.54 6.16 -8.44 3 4 0 68 248.355 2 ↓

Analogs

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Popular Name: 3-[3-(2-thienylmethyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[3-(2-thienylmethyl)-1,2,4-oxa…

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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) 3.53 6.83 -10.15 1 4 0 63 317.439 3 ↓
Mid Mid (pH 6-8) 3.95 6.66 -9.03 2 4 0 65 317.439 3 ↓

Analogs

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Popular Name: 3-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[3-(2-furyl)-1,2,4-oxadiazol-5…

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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) 2.82 4.67 -13.14 1 5 0 76 287.344 2 ↓
Mid Mid (pH 6-8) 3.24 4.99 -10.06 2 5 0 78 287.344 2 ↓

Analogs

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Popular Name: 3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(2-methyl-5-propyl-1,2,4-triaz…

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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) 2.36 7.08 -8.79 1 4 0 55 276.409 3 ↓
Mid Mid (pH 6-8) 3.11 7.29 -8.21 2 4 0 57 276.409 3 ↓

Analogs

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Popular Name: 3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-isobutyl-2-methyl-1,2,4-tri…

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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 7.6 -8.57 1 4 0 55 290.436 3 ↓
Mid Mid (pH 6-8) 3.35 7.76 -8 2 4 0 57 290.436 3 ↓

Analogs

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Popular Name: 3-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-cyclopentyl-2-methyl-1,2,4-…

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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) 2.69 7.9 -8.8 1 4 0 55 302.447 2 ↓
Mid Mid (pH 6-8) 3.43 8.05 -8.58 2 4 0 57 302.447 2 ↓

Analogs

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Popular Name: 3-[2-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[2-methyl-5-(2-thienyl)-1,2,4-…

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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) 3.10 7.66 -10.93 1 4 0 55 316.455 2 ↓
Mid Mid (pH 6-8) 3.85 7.82 -11.11 2 4 0 57 316.455 2 ↓

Analogs

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Popular Name: 3-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[5-(2-thienyl)-1H-1,2,4-triazo…

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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) 3.03 7.47 -11.51 2 4 0 65 302.428 2 ↓
Mid Mid (pH 6-8) 3.78 7.58 -8.72 3 4 0 68 302.428 2 ↓

Analogs

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Popular Name: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-amino-6-tert-butyl-N-(2-chloro…

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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 10.06 -7.94 2 6 0 99 407.923 4 ↓
Mid Mid (pH 6-8) 5.06 7.73 -46.61 1 6 -1 105 406.915 4 ↓
Mid Mid (pH 6-8) 5.57 9.26 -10.95 3 6 0 101 407.923 4 ↓

Analogs

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Popular Name: 2-amino-6-ethyl-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-amino-6-ethyl-N-phenyl-4,5,6,7…

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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 7.94 -6.25 2 3 0 53 300.427 3 ↓
Mid Mid (pH 6-8) 4.18 7.14 -8.83 3 3 0 55 300.427 3 ↓
Mid Mid (pH 6-8) 3.67 7.3 -11.53 2 3 0 53 300.427 3 ↓

Analogs

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Popular Name: 3-(5-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-fluoro-1,3-benzoxazol-2-yl)…

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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) 3.74 6.1 -7.89 1 3 0 50 288.347 1 ↓
Mid Mid (pH 6-8) 4.16 5.69 -6.81 2 3 0 52 288.347 1 ↓

Analogs

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Popular Name: 3-(5-fluoro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-fluoro-1,3-benzothiazol-2-y…

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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) 3.88 8.2 -7.94 1 2 0 37 304.415 1 ↓
Mid Mid (pH 6-8) 4.80 7.66 -6.38 2 2 0 39 304.415 1 ↓

Analogs

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Popular Name: 3-(5-bromo-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-bromo-1,3-benzothiazol-2-yl…

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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 8.74 -7.56 1 2 0 37 365.321 1 ↓
Mid Mid (pH 6-8) 5.45 8.21 -5.88 2 2 0 39 365.321 1 ↓

Analogs

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Popular Name: 3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(7-chloro-1,3-benzothiazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.37 8.66 -10.32 1 2 0 37 320.87 1 ↓
Mid Mid (pH 6-8) 5.29 8.33 -7.92 2 2 0 39 320.87 1 ↓

Analogs

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Popular Name: 3-(6-methyl-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(6-methyl-1H-benzimidazol-2-yl…

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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) 3.59 7.08 -8.72 2 3 0 53 283.4 1 ↓

Analogs

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Popular Name: 3-(5-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-chloro-1,3-benzothiazol-2-y…

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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) 4.39 8.64 -7.74 1 2 0 37 320.87 1 ↓
Mid Mid (pH 6-8) 5.31 8.1 -5.92 2 2 0 39 320.87 1 ↓

Analogs

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Popular Name: 3-(1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(1-ethylbenzimidazol-2-yl)-4,5…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 8.96 -10.1 1 3 0 42 297.427 2 ↓
Mid Mid (pH 6-8) 4.36 8.84 -9.98 2 3 0 44 297.427 2 ↓
Lo Low (pH 4.5-6) 4.36 9.29 -21.65 3 3 1 45 298.435 2 ↓

Analogs

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Popular Name: 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-([1,2,4]triazolo[4,3-a]pyridin…

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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) 2.51 7.91 -13.73 1 4 0 54 270.361 1 ↓
Mid Mid (pH 6-8) 3.25 7.94 -14.3 2 4 0 56 270.361 1 ↓

Analogs

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Popular Name: 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(6,7,8,9-tetrahydro-5H-[1,2,4]…

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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) 2.39 7.88 -11.25 1 4 0 55 288.42 1 ↓
Mid Mid (pH 6-8) 3.14 8.05 -11.78 2 4 0 57 288.42 1 ↓

Analogs

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Popular Name: 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[3-(2-thienyl)-1,2,4-oxadiazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 5.67 -11.73 1 4 0 63 303.412 2 ↓
Mid Mid (pH 6-8) 3.88 5.99 -9.53 2 4 0 65 303.412 2 ↓

Analogs

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Popular Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[3-(2-pyridyl)-1,2,4-oxadiazol…

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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) 2.54 5.27 -14.64 1 5 0 76 298.371 2 ↓
Mid Mid (pH 6-8) 2.95 5.11 -11.22 2 5 0 78 298.371 2 ↓

Analogs

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Popular Name: 3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[3-(3-pyridyl)-1,2,4-oxadiazol…

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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) 2.61 5.38 -11.44 1 5 0 76 298.371 2 ↓
Mid Mid (pH 6-8) 3.03 5.21 -9.08 2 5 0 78 298.371 2 ↓

Analogs

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Popular Name: 3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-[3-(4-pyridyl)-1,2,4-oxadiazol…

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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) 2.39 4.9 -10.11 1 5 0 76 298.371 2 ↓
Mid Mid (pH 6-8) 2.81 5.21 -8.93 2 5 0 78 298.371 2 ↓

Analogs

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Popular Name: 3-[3-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-ami 3-[3-[[(2S)-tetrahydrofuran-2-yl…

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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) 2.22 4.98 -11.67 1 5 0 72 305.403 3 ↓
Mid Mid (pH 6-8) 2.64 4.83 -11.07 2 5 0 74 305.403 3 ↓

Analogs

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Popular Name: 3-[3-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzothiophen-2-ami 3-[3-[[(2R)-tetrahydrofuran-2-yl…

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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) 2.22 4.98 -12.02 1 5 0 72 305.403 3 ↓
Mid Mid (pH 6-8) 2.64 4.83 -9.72 2 5 0 74 305.403 3 ↓

Analogs

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Popular Name: 3-(3-isobutyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(3-isobutyl-1,2,4-oxadiazol-5-…

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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) 2.97 6.09 -8.83 1 4 0 63 277.393 3 ↓
Mid Mid (pH 6-8) 3.39 5.91 -7.56 2 4 0 65 277.393 3 ↓

Analogs

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Popular Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-chloro-1,3-benzoxazol-2-yl)…

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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 6.54 -7.64 1 3 0 50 304.802 1 ↓
Mid Mid (pH 6-8) 4.67 6.13 -6.46 2 3 0 52 304.802 1 ↓

Analogs

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Popular Name: 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(3-cyclohexyl-1,2,4-oxadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 7.06 -8.8 1 4 0 63 303.431 2 ↓
Mid Mid (pH 6-8) 3.97 6.89 -7.45 2 4 0 65 303.431 2 ↓

Analogs

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Popular Name: 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(4-ethyl-5-methyl-1,2,4-triazo…

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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) 1.66 7.4 -11.94 1 4 0 55 262.382 2 ↓
Mid Mid (pH 6-8) 2.41 7.34 -12.4 2 4 0 57 262.382 2 ↓

Analogs

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Popular Name: 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-methyl-4-propyl-1,2,4-triaz…

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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) 2.17 8.16 -11.48 1 4 0 55 276.409 3 ↓
Mid Mid (pH 6-8) 2.91 8.09 -12.03 2 4 0 57 276.409 3 ↓

Analogs

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Popular Name: 3-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(4-isopropyl-5-methyl-1,2,4-tr…

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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) 2.03 7.21 -13.71 1 4 0 55 276.409 2 ↓
Mid Mid (pH 6-8) 2.77 7.57 -12.12 2 4 0 57 276.409 2 ↓

Analogs

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Popular Name: 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(4-cyclopropyl-5-methyl-1,2,4-…

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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) 1.65 7.51 -14.2 1 4 0 55 274.393 2 ↓
Mid Mid (pH 6-8) 2.40 7.96 -12.42 2 4 0 57 274.393 2 ↓

Analogs

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Popular Name: 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(4-cyclopentyl-5-methyl-1,2,4-…

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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) 2.69 8.55 -10.69 1 4 0 55 302.447 2 ↓
Mid Mid (pH 6-8) 3.43 8.59 -11.73 2 4 0 57 302.447 2 ↓

Parameters Provided:

ring.id = 21483
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 = 21483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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