UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(Z)-(1-thiazol-2-ylpyrrol-2-yl)methyleneamino]thiourea [(Z)-(1-thiazol-2-ylpyrrol-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) 1.86 5.89 -12.37 3 5 0 68 251.34 4 ↓

Analogs

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Popular Name: 3-[[2-[2-(2,5-dimethylpyrrol-1-yl)thiazol-4-yl]acetyl]amino]-N-isopropyl-propanamide 3-[[2-[2-(2,5-dimethylpyrrol-1-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) 1.69 6.69 -25.19 2 6 0 76 348.472 7 ↓

Analogs

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Popular Name: 5-(2-methylpropyl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxylic acid 5-(2-methylpropyl)-2-(1H-pyrrol-…

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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 8.77 -53.34 0 4 -1 58 249.315 4 ↓

Analogs

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Popular Name: 5-isopropyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxylic acid 5-isopropyl-2-(1H-pyrrol-1-yl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 8.34 -54.26 0 4 -1 58 235.288 3 ↓

Analogs

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Popular Name: N,4-dimethyl-2-pyrrol-1-yl-thiazole-5-carboxamide N,4-dimethyl-2-pyrrol-1-yl-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) 1.33 4.65 -8.95 1 4 0 47 221.285 2 ↓

Analogs

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Popular Name: 4-methyl-2-pyrrol-1-yl-thiazole-5-carboxamide 4-methyl-2-pyrrol-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) 0.95 3.16 -8.95 2 4 0 61 207.258 2 ↓

Analogs

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Popular Name: 4-ethyl-N-methyl-2-pyrrol-1-yl-thiazole-5-carboxamide 4-ethyl-N-methyl-2-pyrrol-1-yl-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.38 -8.69 1 4 0 47 235.312 3 ↓

Analogs

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Popular Name: N-methyl-4-propyl-2-pyrrol-1-yl-thiazole-5-carboxamide N-methyl-4-propyl-2-pyrrol-1-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) 2.40 6.14 -8.57 1 4 0 47 249.339 4 ↓

Analogs

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Popular Name: 1-(4-isopropylthiazol-2-yl)-2,5-dimethyl-pyrrole-3-carboxylic 1-(4-isopropylthiazol-2-yl)-2,5-…

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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) 2.89 9.21 -52.21 0 4 -1 58 263.342 3 ↓

Analogs

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Popular Name: 1-(4-isopropylthiazol-2-yl)-2,5-dimethyl-pyrrole-3-carbaldehyde 1-(4-isopropylthiazol-2-yl)-2,5-…

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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) 3.11 8.4 -11.77 0 3 0 35 248.351 3 ↓

Analogs

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Popular Name: 2-chloro-1-[1-(4-isopropylthiazol-2-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-(4-isopropylthiazo…

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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 9.88 -9.21 0 3 0 35 296.823 4 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-(4-isopropylthiazol-2-yl)-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-(4-isopropylt…

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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) 3.81 10.28 -6.92 0 3 0 35 310.85 4 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-(4-isopropylthiazol-2-yl)-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-(4-isopropylt…

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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) 3.81 10.54 -8.66 0 3 0 35 310.85 4 ↓

Analogs

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Popular Name: 2-(2,5-dimethylpyrrol-1-yl)-4-isopropyl-thiazole 2-(2,5-dimethylpyrrol-1-yl)-4-is…

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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 8.72 -6.68 0 2 0 18 220.341 2 ↓

Analogs

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Popular Name: 4-isopropyl-2-pyrrol-1-yl-thiazole 4-isopropyl-2-pyrrol-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) 2.95 7.55 -6.22 0 2 0 18 192.287 2 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-2-[2-(2,5-dimethylpyrrol-1-yl)thiazol-4-yl]acetamide N-(2-bromoallyl)-2-[2-(2,5-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) 2.75 7.94 -14.44 1 4 0 47 354.273 5 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(5-methylthiazol-2-yl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 9.25 -8.87 0 3 0 35 282.796 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(5-methylthiazol-2-yl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 9.51 -11.91 0 3 0 35 282.796 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 9 -7.34 0 3 0 35 282.796 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 9.27 -9.06 0 3 0 35 282.796 3 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-4-propyl-2-pyrrol-1-yl-thiazole-5-carboxamide N-(3-methoxypropyl)-4-propyl-2-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) 2.66 6.82 -8.52 1 5 0 56 307.419 8 ↓

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) 2.26 7.1 -8.22 1 6 0 73 307.375 7 ↓

Analogs

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Popular Name: N-isobutyl-4-propyl-2-pyrrol-1-yl-thiazole-5-carboxamide N-isobutyl-4-propyl-2-pyrrol-1-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) 3.52 8.5 -7.58 1 4 0 47 291.42 6 ↓

Analogs

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Popular Name: N-isopropyl-4-propyl-2-pyrrol-1-yl-thiazole-5-carboxamide N-isopropyl-4-propyl-2-pyrrol-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 7.82 -7.92 1 4 0 47 277.393 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-4-propyl-2-pyrrol-1-yl-thiazole-5-carboxamide N-(2-methoxyethyl)-4-propyl-2-py…

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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 6.07 -8.56 1 5 0 56 293.392 7 ↓

Parameters Provided:

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