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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4902149
4902149

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1S)-2-methyl-1-[[(2R)-tetrahydrofuran-2-yl]methylcarbamo 4,5-dichloroisothiazole-3-carbox…

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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) 3.13 5.79 -10.35 1 6 0 78 381.281 7 ↓

Analogs

4902149
4902149

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1S)-2-methyl-1-[[(2S)-tetrahydrofuran-2-yl]methylcarbamo 4,5-dichloroisothiazole-3-carbox…

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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) 3.13 5.76 -9.82 1 6 0 78 381.281 7 ↓

Analogs

4902149
4902149

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1R)-2-methyl-1-[[(2S)-tetrahydrofuran-2-yl]methylcarbamo 4,5-dichloroisothiazole-3-carbox…

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) 3.13 5.75 -10.34 1 6 0 78 381.281 7 ↓

Analogs

4902240
4902240

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1S)-3-methyl-1-[[(2R)-tetrahydrofuran-2-yl]methylcarbamo 4,5-dichloroisothiazole-3-carbox…

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) 3.66 6.41 -10.18 1 6 0 78 395.308 8 ↓

Analogs

4902240
4902240

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1R)-3-methyl-1-[[(2R)-tetrahydrofuran-2-yl]methylcarbamo 4,5-dichloroisothiazole-3-carbox…

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) 3.66 7.16 -9.31 1 6 0 78 395.308 8 ↓

Analogs

4902240
4902240

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1S)-3-methyl-1-[[(2S)-tetrahydrofuran-2-yl]methylcarbamo 4,5-dichloroisothiazole-3-carbox…

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) 3.66 6.39 -9.86 1 6 0 78 395.308 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1S)-1-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]propyl 4,5-dichloroisothiazole-3-carbox…

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) 2.89 5.27 -10.63 1 6 0 78 367.254 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1R)-1-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]propyl 4,5-dichloroisothiazole-3-carbox…

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) 2.89 5.27 -10.16 1 6 0 78 367.254 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1S)-1-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]propyl 4,5-dichloroisothiazole-3-carbox…

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) 2.89 5.24 -10.29 1 6 0 78 367.254 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dichloroisothiazole-3-carboxylic-acid-[(1R)-1-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]propyl 4,5-dichloroisothiazole-3-carbox…

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) 2.89 5.24 -10.72 1 6 0 78 367.254 7 ↓

Parameters Provided:

ring.id = 226371
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 = 226371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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