UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-indolin-1-ylthiazol-4-yl)ethanone 1-(2-indolin-1-ylthiazol-4-yl)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) 2.92 8.08 -17.31 0 3 0 33 244.319 2 ↓

Analogs

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Popular Name: 2-indolin-1-ylthiazole-5-carbaldehyde 2-indolin-1-ylthiazole-5-carbald…

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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) 2.81 6.92 -8.93 0 3 0 33 230.292 2 ↓

Analogs

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Popular Name: 1-(2-indolin-1-ylthiazol-5-yl)ethanone 1-(2-indolin-1-ylthiazol-5-yl)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) 2.92 7.64 -11.21 0 3 0 33 244.319 2 ↓

Analogs

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Popular Name: (1R)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethanamine (1R)-1-(2-indolin-1-yl-4-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) 1.11 6.43 -46.59 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 1.11 6.1 -7.08 2 3 0 42 259.378 2 ↓

Analogs

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Popular Name: (1S)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethanamine (1S)-1-(2-indolin-1-yl-4-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) 1.11 6.44 -46.34 3 3 1 44 260.386 2 ↓
Mid Mid (pH 6-8) 1.11 6.12 -8.11 2 3 0 42 259.378 2 ↓

Analogs

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Popular Name: (2-indolin-1-ylthiazol-5-yl)methanamine (2-indolin-1-ylthiazol-5-yl)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) 2.21 5.25 -48.11 3 3 1 44 232.332 2 ↓
Mid Mid (pH 6-8) 2.21 4.84 -7.61 2 3 0 42 231.324 2 ↓

Analogs

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Popular Name: (1S)-1-(2-indolin-1-ylthiazol-5-yl)ethanamine (1S)-1-(2-indolin-1-ylthiazol-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) 0.89 5.92 -46.69 3 3 1 44 246.359 2 ↓
Mid Mid (pH 6-8) 0.89 5.58 -6.6 2 3 0 42 245.351 2 ↓

Analogs

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Popular Name: (1R)-1-(2-indolin-1-ylthiazol-5-yl)ethanamine (1R)-1-(2-indolin-1-ylthiazol-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) 0.89 5.93 -46.64 3 3 1 44 246.359 2 ↓
Mid Mid (pH 6-8) 0.89 5.6 -7.4 2 3 0 42 245.351 2 ↓

Analogs

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Popular Name: (1R)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)-N-methyl-ethanamine (1R)-1-(2-indolin-1-yl-4-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) 3.36 8.14 -41.13 2 3 1 33 274.413 3 ↓
Hi High (pH 8-9.5) 3.36 6.87 -7.79 1 3 0 28 273.405 3 ↓

Analogs

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Popular Name: (1S)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)-N-methyl-ethanamine (1S)-1-(2-indolin-1-yl-4-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) 3.36 8.15 -40.91 2 3 1 33 274.413 3 ↓
Hi High (pH 8-9.5) 3.36 6.86 -7 1 3 0 28 273.405 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethanamine (1S)-N-ethyl-1-(2-indolin-1-yl-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) 3.74 8.98 -39.65 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.74 7.8 -7.64 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethanamine (1R)-N-ethyl-1-(2-indolin-1-yl-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) 3.74 9 -39.53 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.74 7.79 -6.82 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethyl]propan-1-amine N-[(1S)-1-(2-indolin-1-yl-4-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) 4.24 9.75 -40.31 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 4.24 8.56 -7.45 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethyl]propan-1-amine N-[(1R)-1-(2-indolin-1-yl-4-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) 4.24 9.76 -40.09 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 4.24 8.55 -6.66 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: 1-(2-indolin-1-ylthiazol-5-yl)-N-methyl-methanamine 1-(2-indolin-1-ylthiazol-5-yl)-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) 2.58 7.12 -42.37 2 3 1 33 246.359 3 ↓
Hi High (pH 8-9.5) 2.58 5.68 -6.89 1 3 0 28 245.351 3 ↓

Analogs

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Popular Name: N-[(2-indolin-1-ylthiazol-5-yl)methyl]ethanamine N-[(2-indolin-1-ylthiazol-5-yl)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) 2.96 7.99 -41.44 2 3 1 33 260.386 4 ↓
Hi High (pH 8-9.5) 2.96 6.61 -6.74 1 3 0 28 259.378 4 ↓

Analogs

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Popular Name: N-[(2-indolin-1-ylthiazol-5-yl)methyl]propan-1-amine N-[(2-indolin-1-ylthiazol-5-yl)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) 3.46 8.74 -42.31 2 3 1 33 274.413 5 ↓
Hi High (pH 8-9.5) 3.46 7.38 -6.61 1 3 0 28 273.405 5 ↓

Analogs

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Popular Name: N-[(2-indolin-1-ylthiazol-5-yl)methyl]propan-2-amine N-[(2-indolin-1-ylthiazol-5-yl)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) 3.25 8.51 -39.77 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 3.25 7.31 -6.58 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: N-[(2-indolin-1-ylthiazol-5-yl)methyl]-2-methyl-propan-2-amine N-[(2-indolin-1-ylthiazol-5-yl)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) 3.77 8.94 -37.66 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.77 7.7 -6.42 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-[(2-indolin-1-ylthiazol-5-yl)methyl]-2-methyl-propan-1-amine N-[(2-indolin-1-ylthiazol-5-yl)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) 3.70 9.43 -42.18 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 3.70 8.2 -6.4 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[(2-indolin-1-ylthiazol-5-yl)methyl]-2-methoxy-ethanamine N-[(2-indolin-1-ylthiazol-5-yl)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) 2.57 7.12 -42.04 2 4 1 42 290.412 6 ↓
Mid Mid (pH 6-8) 2.57 5.76 -7.97 1 4 0 37 289.404 6 ↓

Analogs

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Popular Name: (1S)-1-(2-indolin-1-ylthiazol-5-yl)-N-methyl-ethanamine (1S)-1-(2-indolin-1-ylthiazol-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) 3.14 7.67 -41.15 2 3 1 33 260.386 3 ↓
Hi High (pH 8-9.5) 3.14 6.39 -6.21 1 3 0 28 259.378 3 ↓

Analogs

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Popular Name: (1R)-1-(2-indolin-1-ylthiazol-5-yl)-N-methyl-ethanamine (1R)-1-(2-indolin-1-ylthiazol-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) 3.14 7.67 -41.09 2 3 1 33 260.386 3 ↓
Hi High (pH 8-9.5) 3.14 6.4 -7.13 1 3 0 28 259.378 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-indolin-1-ylthiazol-5-yl)ethanamine (1S)-N-ethyl-1-(2-indolin-1-ylth…

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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) 3.52 8.51 -39.62 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 3.52 7.35 -6.91 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-indolin-1-ylthiazol-5-yl)ethanamine (1R)-N-ethyl-1-(2-indolin-1-ylth…

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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) 3.52 8.52 -39.64 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 3.52 7.3 -6.01 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-indolin-1-ylthiazol-5-yl)ethyl]propan-1-amine N-[(1S)-1-(2-indolin-1-ylthiazol…

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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) 4.02 9.27 -40.3 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 4.02 8.09 -6.85 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-indolin-1-ylthiazol-5-yl)ethyl]propan-1-amine N-[(1R)-1-(2-indolin-1-ylthiazol…

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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) 4.02 9.28 -40.31 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 4.02 8.07 -5.88 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: 2-indolin-1-ylthiazole-5-carboxylic 2-indolin-1-ylthiazole-5-carboxylic

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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 7.8 -52.51 0 4 -1 56 245.283 2 ↓

Analogs

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Popular Name: (1R)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethanol (1R)-1-(2-indolin-1-yl-4-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) 2.81 5.83 -8.22 1 3 0 36 260.362 2 ↓

Analogs

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Popular Name: (1S)-1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)ethanol (1S)-1-(2-indolin-1-yl-4-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) 2.81 5.84 -8.28 1 3 0 36 260.362 2 ↓

Analogs

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Popular Name: (2-indolin-1-ylthiazol-5-yl)methanol (2-indolin-1-ylthiazol-5-yl)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) 2.36 4.51 -9.65 1 3 0 36 232.308 2 ↓

Analogs

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Popular Name: (1S)-1-(2-indolin-1-ylthiazol-5-yl)ethanol (1S)-1-(2-indolin-1-ylthiazol-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) 2.59 5.32 -8.97 1 3 0 36 246.335 2 ↓

Analogs

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Popular Name: (1R)-1-(2-indolin-1-ylthiazol-5-yl)ethanol (1R)-1-(2-indolin-1-ylthiazol-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) 2.59 5.3 -9 1 3 0 36 246.335 2 ↓

Analogs

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Popular Name: 2-indolin-1-yl-4-methyl-thiazole-5-carbaldehyde 2-indolin-1-yl-4-methyl-thiazole…

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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) 3.04 8.02 -11.41 0 3 0 33 244.319 2 ↓

Analogs

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Popular Name: 4-ethyl-2-indolin-1-yl-thiazole-5-carbaldehyde 4-ethyl-2-indolin-1-yl-thiazole-…

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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 8.75 -10.89 0 3 0 33 258.346 3 ↓

Analogs

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Popular Name: 2-indolin-1-yl-4-propyl-thiazole-5-carbaldehyde 2-indolin-1-yl-4-propyl-thiazole…

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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) 4.11 9.53 -10.52 0 3 0 33 272.373 4 ↓

Analogs

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Popular Name: 4-tert-butyl-2-indolin-1-yl-thiazole-5-carbaldehyde 4-tert-butyl-2-indolin-1-yl-thia…

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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) 4.76 9.8 -10 0 3 0 33 286.4 3 ↓

Analogs

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Popular Name: 4-tert-butyl-2-indolin-1-yl-thiazole-5-carboxylic 4-tert-butyl-2-indolin-1-yl-thia…

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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) 4.54 10.59 -50.06 0 4 -1 56 301.391 3 ↓
Lo Low (pH 4.5-6) 4.54 10.42 -34.68 1 4 0 58 302.399 3 ↓

Analogs

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Popular Name: 4-ethyl-2-indolin-1-yl-thiazole-5-carboxylic 4-ethyl-2-indolin-1-yl-thiazole-…

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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) 3.39 9.55 -52.37 0 4 -1 56 273.337 3 ↓
Lo Low (pH 4.5-6) 3.39 9.41 -38.45 1 4 0 58 274.345 3 ↓

Analogs

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Popular Name: 2-indolin-1-yl-4-propyl-thiazole-5-carboxylic 2-indolin-1-yl-4-propyl-thiazole…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 10.33 -52.81 0 4 -1 56 287.364 4 ↓
Lo Low (pH 4.5-6) 3.89 10.18 -38.5 1 4 0 58 288.372 4 ↓

Analogs

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Popular Name: N-[(2-indolin-1-yl-4-propyl-thiazol-5-yl)methyl]ethanamine N-[(2-indolin-1-yl-4-propyl-thia…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 10.08 -41.96 2 3 1 33 302.467 6 ↓
Hi High (pH 8-9.5) 4.25 9.23 -7.65 1 3 0 28 301.459 6 ↓

Analogs

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Popular Name: (2-indolin-1-yl-4-methyl-thiazol-5-yl)methanamine (2-indolin-1-yl-4-methyl-thiazol…

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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) 2.43 5.76 -48.58 3 3 1 44 246.359 2 ↓
Mid Mid (pH 6-8) 2.43 5.37 -8.15 2 3 0 42 245.351 2 ↓

Analogs

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Popular Name: (4-tert-butyl-2-indolin-1-yl-thiazol-5-yl)methanamine (4-tert-butyl-2-indolin-1-yl-thi…

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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) 4.15 8.18 -50.36 3 3 1 44 288.44 3 ↓
Mid Mid (pH 6-8) 4.15 7.86 -8.48 2 3 0 42 287.432 3 ↓

Analogs

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Popular Name: (4-ethyl-2-indolin-1-yl-thiazol-5-yl)methanamine (4-ethyl-2-indolin-1-yl-thiazol-…

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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) 3.00 6.56 -48.75 3 3 1 44 260.386 3 ↓
Mid Mid (pH 6-8) 3.00 6.71 -8.66 2 3 0 42 259.378 3 ↓

Analogs

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Popular Name: (2-indolin-1-yl-4-propyl-thiazol-5-yl)methanamine (2-indolin-1-yl-4-propyl-thiazol…

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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) 3.50 7.87 -50.91 3 3 1 44 274.413 4 ↓
Mid Mid (pH 6-8) 3.50 7.4 -8.52 2 3 0 42 273.405 4 ↓

Analogs

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Popular Name: 1-(2-indolin-1-yl-4-methyl-thiazol-5-yl)-N-methyl-methanamine 1-(2-indolin-1-yl-4-methyl-thiaz…

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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) 2.80 7.64 -42.86 2 3 1 33 260.386 3 ↓
Hi High (pH 8-9.5) 2.80 6.19 -7.54 1 3 0 28 259.378 3 ↓

Analogs

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Popular Name: N-[(2-indolin-1-yl-4-methyl-thiazol-5-yl)methyl]ethanamine N-[(2-indolin-1-yl-4-methyl-thia…

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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) 3.18 8.53 -42.04 2 3 1 33 274.413 4 ↓
Hi High (pH 8-9.5) 3.18 7.16 -7.01 1 3 0 28 273.405 4 ↓

Analogs

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Popular Name: N-[(2-indolin-1-yl-4-methyl-thiazol-5-yl)methyl]propan-1-amine N-[(2-indolin-1-yl-4-methyl-thia…

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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) 3.68 9.28 -42.74 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 3.68 7.92 -6.86 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[(2-indolin-1-yl-4-methyl-thiazol-5-yl)methyl]propan-2-amine N-[(2-indolin-1-yl-4-methyl-thia…

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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) 3.48 9.01 -40.08 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 3.48 7.81 -7.31 1 3 0 28 287.432 4 ↓

Analogs

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Popular Name: N-[(2-indolin-1-yl-4-methyl-thiazol-5-yl)methyl]-2-methyl-propan-2-amine N-[(2-indolin-1-yl-4-methyl-thia…

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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 9.44 -37.85 2 3 1 33 302.467 4 ↓
Hi High (pH 8-9.5) 3.99 8.22 -7.05 1 3 0 28 301.459 4 ↓

Parameters Provided:

ring.id = 34783
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 = 34783 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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