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

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6R)-6-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6R)-6-[[(3S)-1,1-dioxothian-…

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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) 0.12 2.91 -50.11 1 6 -1 103 300.356 3 ↓
Lo Low (pH 4.5-6) 0.12 1.18 -18.75 2 6 0 101 301.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6R)-6-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6R)-6-[[(3R)-1,1-dioxothian-…

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Activity (Go SEA)

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) 0.12 2.92 -52.42 1 6 -1 103 300.356 3 ↓
Lo Low (pH 4.5-6) 0.12 1.2 -18.79 2 6 0 101 301.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-6-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6S)-6-[[(3S)-1,1-dioxothian-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.12 2.87 -66.56 1 6 -1 103 300.356 3 ↓
Lo Low (pH 4.5-6) 0.12 1.82 -24.09 2 6 0 101 301.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-6-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6S)-6-[[(3R)-1,1-dioxothian-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.12 2.89 -68.63 1 6 -1 103 300.356 3 ↓
Lo Low (pH 4.5-6) 0.12 1.81 -23.64 2 6 0 101 301.364 3 ↓

Parameters Provided:

ring.id = 289318
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 = 289318 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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