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

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aS)-7a-methyl-N-(2-methyl-2…

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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) 2.74 8.03 -18.42 1 4 0 49 332.469 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aS)-7a-methyl-N-(2-methyl-2…

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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) 2.74 8.89 -19.39 1 4 0 49 332.469 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aR)-7a-methyl-N-(2-methyl-2…

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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) 2.74 8.04 -19.7 1 4 0 49 332.469 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-7a-methyl-N-(2-methyl-2-phenyl-propyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aR)-7a-methyl-N-(2-methyl-2…

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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) 2.74 7.98 -18.19 1 4 0 49 332.469 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-(2-isopropyl-1,3-benzoxazol-5-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazol (3R,7aS)-N-(2-isopropyl-1,3-benz…

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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) 2.71 5.03 -25.86 1 6 0 75 359.451 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-(2-isopropyl-1,3-benzoxazol-5-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazol (3S,7aS)-N-(2-isopropyl-1,3-benz…

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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) 2.71 5.76 -28.94 1 6 0 75 359.451 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-(2-isopropyl-1,3-benzoxazol-5-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazol (3R,7aR)-N-(2-isopropyl-1,3-benz…

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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) 2.71 5.83 -28.36 1 6 0 75 359.451 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-(2-isopropyl-1,3-benzoxazol-5-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazol (3S,7aR)-N-(2-isopropyl-1,3-benz…

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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) 2.71 4.99 -27.21 1 6 0 75 359.451 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-(benzothiophen-3-ylmethyl)-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3R,7aS)-N-(benzothiophen-3-ylme…

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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 9.08 -18.63 0 4 0 41 360.504 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-[(1-ethylbenzimidazol-2-yl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazo (3R,7aS)-N-[(1-ethylbenzimidazol…

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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) 1.41 7.38 -19.19 1 6 0 67 358.467 4 ↓
    Mid Mid (pH 6-8) 1.41 7.87 -37.97 2 6 1 68 359.475 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-[(1-ethylbenzimidazol-2-yl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazo (3S,7aS)-N-[(1-ethylbenzimidazol…

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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) 1.41 7.41 -18.35 1 6 0 67 358.467 4 ↓
    Mid Mid (pH 6-8) 1.41 7.85 -38.3 2 6 1 68 359.475 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-[(1-ethylbenzimidazol-2-yl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazo (3R,7aR)-N-[(1-ethylbenzimidazol…

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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) 1.41 8.27 -18.81 1 6 0 67 358.467 4 ↓
    Mid Mid (pH 6-8) 1.41 8.76 -38.21 2 6 1 68 359.475 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-[(1-ethylbenzimidazol-2-yl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazo (3S,7aR)-N-[(1-ethylbenzimidazol…

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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) 1.41 7.38 -16.94 1 6 0 67 358.467 4 ↓
    Mid Mid (pH 6-8) 1.41 7.87 -38.32 2 6 1 68 359.475 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-(4-tert-butylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aR)-N-(4-tert-butylthiazol-…

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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 7.71 -15.63 1 5 0 62 339.486 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-(4-tert-butylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aS)-N-(4-tert-butylthiazol-…

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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 6.91 -14.66 1 5 0 62 339.486 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-(4-tert-butylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aR)-N-(4-tert-butylthiazol-…

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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 6.91 -14.68 1 5 0 62 339.486 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-(4-tert-butylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aS)-N-(4-tert-butylthiazol-…

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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 7.81 -15.9 1 5 0 62 339.486 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-cyclopropyl-N-(2-hydroxyethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3R,7aR)-N-cyclopropyl-N-(2-hydr…

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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) -0.05 4.23 -15.83 1 5 0 61 284.381 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-cyclopropyl-N-(2-hydroxyethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3R,7aS)-N-cyclopropyl-N-(2-hydr…

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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) -0.05 3.35 -14.92 1 5 0 61 284.381 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-cyclopropyl-N-(2-hydroxyethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3S,7aR)-N-cyclopropyl-N-(2-hydr…

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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) -0.05 3.38 -13.93 1 5 0 61 284.381 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-cyclopropyl-N-(2-hydroxyethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3 (3S,7aS)-N-cyclopropyl-N-(2-hydr…

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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) -0.05 4.12 -16.38 1 5 0 61 284.381 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[(3R,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carbonyl]amino]-2-methy (2S)-2-[[(3R,7aS)-7a-methyl-5-ox…

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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 6.34 -61.7 1 6 -1 90 313.399 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[(3R,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carbonyl]amino]-2-methy (2R)-2-[[(3R,7aS)-7a-methyl-5-ox…

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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 6.34 -68.54 1 6 -1 90 313.399 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[(3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carbonyl]amino]-2-methy (2S)-2-[[(3S,7aS)-7a-methyl-5-ox…

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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 6.27 -69.7 1 6 -1 90 313.399 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[(3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carbonyl]amino]-2-methy (2R)-2-[[(3S,7aS)-7a-methyl-5-ox…

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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 6.27 -64.53 1 6 -1 90 313.399 5 ↓

    Analogs

    12402588
    12402588
    12402589
    12402589
    12402590
    12402590
    25909703
    25909703
    31358993
    31358993

    Draw Identity 99% 90% 80% 70%


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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) 1.71 -2.45 -18.33 1 6 0 68 350.44 6 ↓

    Analogs

    12402589
    12402589
    12402590
    12402590
    25909703
    25909703
    31358993
    31358993
    31358995
    31358995

    Draw Identity 99% 90% 80% 70%


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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) 1.71 -2.45 -16.77 1 6 0 68 350.44 6 ↓

    Analogs

    12402590
    12402590
    25909703
    25909703
    31358993
    31358993
    31358995
    31358995
    31358997
    31358997

    Draw Identity 99% 90% 80% 70%


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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) 1.71 -2.47 -17.96 1 6 0 68 350.44 6 ↓

    Analogs

    25909703
    25909703
    31358993
    31358993
    31358995
    31358995
    31358997
    31358997
    31358999
    31358999

    Draw Identity 99% 90% 80% 70%


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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) 1.71 -2.48 -18.14 1 6 0 68 350.44 6 ↓

    Analogs

    36638311
    36638311
    36638312
    36638312
    36638313
    36638313
    4505451
    4505451
    4505457
    4505457

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-[(R)-cyclopropyl(phenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3R,7aR)-N-[(R)-cyclopropyl(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) 2.42 9.21 -15.46 1 4 0 49 330.453 4 ↓

    Analogs

    36638312
    36638312
    36638313
    36638313
    36638310
    36638310
    4505451
    4505451
    4505457
    4505457

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-[(R)-cyclopropyl(phenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3R,7aS)-N-[(R)-cyclopropyl(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) 2.42 8.46 -14.59 1 4 0 49 330.453 4 ↓

    Analogs

    36638313
    36638313
    36638310
    36638310
    36638311
    36638311
    4505451
    4505451

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-[(R)-cyclopropyl(phenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3S,7aR)-N-[(R)-cyclopropyl(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) 2.42 8.46 -14.02 1 4 0 49 330.453 4 ↓

    Analogs

    36638310
    36638310
    36638311
    36638311
    36638312
    36638312

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-[(R)-cyclopropyl(phenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3S,7aS)-N-[(R)-cyclopropyl(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) 2.42 9.32 -15.28 1 4 0 49 330.453 4 ↓

    Analogs

    12854551
    12854551
    12854555
    12854555
    12854560
    12854560

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3S,7aR)-N-(4,6-difluoro-1,3-ben…

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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) 2.45 7.3 -22.59 1 5 0 62 369.418 2 ↓
    Hi High (pH 8-9.5) 2.64 5.42 -51.33 0 5 -1 69 368.41 2 ↓

    Analogs

    12854555
    12854555
    12854560
    12854560
    12854546
    12854546

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3S,7aS)-N-(4,6-difluoro-1,3-ben…

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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) 2.45 8.25 -24.92 1 5 0 62 369.418 2 ↓
    Hi High (pH 8-9.5) 2.64 6.32 -55.98 0 5 -1 69 368.41 2 ↓

    Analogs

    12854560
    12854560
    12854546
    12854546

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3R,7aR)-N-(4,6-difluoro-1,3-ben…

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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) 2.45 8.15 -24.82 1 5 0 62 369.418 2 ↓
    Hi High (pH 8-9.5) 2.64 6.47 -55.65 0 5 -1 69 368.41 2 ↓

    Analogs

    12854546
    12854546

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3R,7aS)-N-(4,6-difluoro-1,3-ben…

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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) 2.45 7.3 -22.62 1 5 0 62 369.418 2 ↓
    Hi High (pH 8-9.5) 2.64 5.42 -51.39 0 5 -1 69 368.41 2 ↓

    Analogs

    13009541
    13009541
    13009542
    13009542
    13009544
    13009544

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-(4-indan-5-ylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aR)-N-(4-indan-5-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) 2.81 10.05 -17.19 1 5 0 62 399.541 3 ↓

    Analogs

    13009542
    13009542
    13009544
    13009544
    13009539
    13009539

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-(4-indan-5-ylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3S,7aS)-N-(4-indan-5-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) 2.81 10.84 -17.64 1 5 0 62 399.541 3 ↓

    Analogs

    13009544
    13009544
    13009539
    13009539
    13009541
    13009541

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-(4-indan-5-ylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aR)-N-(4-indan-5-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) 2.81 10.86 -17.64 1 5 0 62 399.541 3 ↓

    Analogs

    13009539
    13009539
    13009541
    13009541
    13009542
    13009542

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-(4-indan-5-ylthiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-car (3R,7aS)-N-(4-indan-5-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) 2.81 10.06 -17.15 1 5 0 62 399.541 3 ↓

    Analogs

    13011459
    13011459
    13011460
    13011460
    13011462
    13011462
    45679205
    45679205
    45679206
    45679206

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-[4-(tert-butylcarbamoyl)phenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3R,7aS)-N-[4-(tert-butylcarbamo…

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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) 2.04 6.47 -24.21 2 6 0 79 375.494 4 ↓

    Analogs

    13011460
    13011460
    13011462
    13011462
    45679205
    45679205
    45679206
    45679206
    45679208
    45679208

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-[4-(tert-butylcarbamoyl)phenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3S,7aS)-N-[4-(tert-butylcarbamo…

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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) 2.04 7.24 -19.28 2 6 0 79 375.494 4 ↓

    Analogs

    13011462
    13011462
    45679205
    45679205
    45679206
    45679206
    45679208
    45679208
    45679210
    45679210

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-[4-(tert-butylcarbamoyl)phenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3R,7aR)-N-[4-(tert-butylcarbamo…

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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) 2.04 7.27 -19.32 2 6 0 79 375.494 4 ↓

    Analogs

    45679205
    45679205
    45679206
    45679206
    45679208
    45679208
    45679210
    45679210
    13011457
    13011457

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-[4-(tert-butylcarbamoyl)phenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3S,7aR)-N-[4-(tert-butylcarbamo…

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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) 2.04 6.45 -18.59 2 6 0 79 375.494 4 ↓

    Analogs

    13011817
    13011817
    13011818
    13011818
    13011819
    13011819
    24004943
    24004943
    12896814
    12896814

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-7a-methyl-5-oxo-2,3,6,7-tetrahyd (3R,7aS)-N-(6-amino-1-isobutyl-2…

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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) 1.14 7.56 -33.54 3 9 0 122 437.566 6 ↓

    Analogs

    13011818
    13011818
    13011819
    13011819
    24004943
    24004943
    12896814
    12896814

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aS)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-7a-methyl-5-oxo-2,3,6,7-tetrahyd (3S,7aS)-N-(6-amino-1-isobutyl-2…

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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) 1.14 6.74 -15.61 3 9 0 122 437.566 6 ↓

    Analogs

    13011819
    13011819
    24004943
    24004943
    12896814
    12896814

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aR)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-7a-methyl-5-oxo-2,3,6,7-tetrahyd (3R,7aR)-N-(6-amino-1-isobutyl-2…

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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) 1.14 7.02 -34.44 3 9 0 122 437.566 6 ↓

    Analogs

    24004943
    24004943
    12896814
    12896814

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S,7aR)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-7a-methyl-5-oxo-2,3,6,7-tetrahyd (3S,7aR)-N-(6-amino-1-isobutyl-2…

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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) 1.14 6.97 -26.99 3 9 0 122 437.566 6 ↓

    Analogs

    13011925
    13011925
    13011926
    13011926
    13011927
    13011927

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R,7aS)-N'-[2-(4-chloro-2-methyl-phenoxy)acetyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]th (3R,7aS)-N'-[2-(4-chloro-2-methy…

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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) 1.78 6.66 -18.67 2 7 0 88 397.884 5 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=12477&filter.purchasability=annotated

    Embed Link to Results

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