UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36638648
36638648

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Popular Name: 4-[[(3aR,6aR)-3-[(1S,2S,4R)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yli 4-[[(3aR,6aR)-3-[(1S,2S,4R)-norb…

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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) 0.52 6.73 -61.45 0 7 -1 107 385.487 4 ↓
Mid Mid (pH 6-8) 0.52 6.04 -59.2 1 7 0 109 386.495 4 ↓

Analogs

36638646
36638646

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Popular Name: 4-[[(3aR,6aR)-3-[(1R,2S,4S)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yli 4-[[(3aR,6aR)-3-[(1R,2S,4S)-norb…

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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) 0.52 4.98 -61.07 0 7 -1 107 385.487 4 ↓
Mid Mid (pH 6-8) 0.52 5.85 -59.07 1 7 0 109 386.495 4 ↓

Analogs

36638652
36638652

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Popular Name: 5-[[(3aR,6aR)-3-[(1S,2S,4R)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yli 5-[[(3aR,6aR)-3-[(1S,2S,4R)-norb…

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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) 1.02 7.51 -63.62 0 7 -1 107 399.514 5 ↓
Mid Mid (pH 6-8) 1.02 6.82 -69.83 1 7 0 109 400.522 5 ↓

Analogs

36638650
36638650

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Popular Name: 5-[[(3aR,6aR)-3-[(1R,2S,4S)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yli 5-[[(3aR,6aR)-3-[(1R,2S,4S)-norb…

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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) 1.02 5.76 -63.66 0 7 -1 107 399.514 5 ↓
Mid Mid (pH 6-8) 1.02 6.63 -69.63 1 7 0 109 400.522 5 ↓

Analogs

36638656
36638656

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Popular Name: 2-[2-[[(3aR,6aR)-3-[(1S,2S,4R)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2- 2-[2-[[(3aR,6aR)-3-[(1S,2S,4R)-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) -0.04 6.66 -66.65 0 8 -1 116 401.486 5 ↓

Analogs

36638654
36638654

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Popular Name: 2-[2-[[(3aR,6aR)-3-[(1R,2S,4S)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2- 2-[2-[[(3aR,6aR)-3-[(1R,2S,4S)-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) -0.04 4.9 -66.56 0 8 -1 116 401.486 5 ↓

Analogs

36638660
36638660

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Popular Name: (NZ)-N-[(3aR,6aR)-3-[(1S,2S,4R)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NZ)-N-[(3aR,6aR)-3-[(1S,2S,4R)-…

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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) 0.19 5.73 -21.33 0 6 0 91 353.469 2 ↓
Mid Mid (pH 6-8) 0.19 5.03 -56.66 1 6 1 92 354.477 2 ↓

Analogs

36638658
36638658

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Popular Name: (NZ)-N-[(3aR,6aR)-3-[(1R,2S,4S)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NZ)-N-[(3aR,6aR)-3-[(1R,2S,4S)-…

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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) 0.19 3.98 -21.39 0 6 0 91 353.469 2 ↓
Mid Mid (pH 6-8) 0.19 4.83 -56.47 1 6 1 92 354.477 2 ↓

Analogs

36638664
36638664

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Popular Name: (NZ)-N-[(3aR,6aR)-3-[(1S,2S,4R)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NZ)-N-[(3aR,6aR)-3-[(1S,2S,4R)-…

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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) 1.34 5.85 -16.55 0 5 0 67 362.904 2 ↓

Analogs

36638662
36638662

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Popular Name: (NZ)-N-[(3aR,6aR)-3-[(1R,2S,4S)-norbornan-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2 (NZ)-N-[(3aR,6aR)-3-[(1R,2S,4S)-…

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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) 1.34 4.1 -16.78 0 5 0 67 362.904 2 ↓

Parameters Provided:

ring.id = 104362
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 = 104362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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