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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Popular Name:

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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) 0.88 7.14 -41.14 1 3 1 25 239.364 1 ↓

    Analogs

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    Popular Name: (2R)-N-isopropyl-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide (2R)-N-isopropyl-2-[4-(thiophene…

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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) 0.76 6.81 -39.68 2 5 1 54 324.47 4 ↓
    Hi High (pH 8-9.5) 0.76 5.03 -11.97 1 5 0 53 323.462 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-isopropyl-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide (2S)-N-isopropyl-2-[4-(thiophene…

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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) 0.76 6.74 -40.69 2 5 1 54 324.47 4 ↓
    Hi High (pH 8-9.5) 0.76 5.18 -15.05 1 5 0 53 323.462 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-propyl-4-(thiophene-3-carbonyl)-1,4-diazepane-1-carboxamide N-propyl-4-(thiophene-3-carbonyl…

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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) 1.74 6.02 -17.03 1 5 0 53 295.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(2,5-dichlorothiophene-3-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(2,5-dichlorothiophene-3-ca…

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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) 0.99 4.52 -39.85 3 5 1 68 337.252 3 ↓
    Hi High (pH 8-9.5) 0.99 2.83 -10.54 2 5 0 67 336.244 3 ↓

    Parameters Provided:

    ring.id = 4384
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 = 4384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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