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

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Popular Name: (3R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-2-cyclopropyl-1-met…

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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) 1.36 3.6 -52.06 2 3 1 51 232.369 4 ↓
Hi High (pH 8-9.5) 1.36 2.51 -9.61 1 3 0 46 231.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-2-cyclopropyl-1-met…

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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) 1.36 3.5 -50.88 2 3 1 51 232.369 4 ↓
Hi High (pH 8-9.5) 1.36 2.56 -9.57 1 3 0 46 231.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-2-cyclopropyl-1-met…

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) 1.36 3.5 -50.86 2 3 1 51 232.369 4 ↓
Hi High (pH 8-9.5) 1.36 2.49 -10.31 1 3 0 46 231.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-2-cyclopropyl-1-met…

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) 1.36 3.6 -52.08 2 3 1 51 232.369 4 ↓
Hi High (pH 8-9.5) 1.36 2.68 -10.63 1 3 0 46 231.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(cyclopropylmethyl)propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-(cyclopropylmethy…

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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) 1.89 3.98 -49.73 2 3 1 51 246.396 5 ↓
Hi High (pH 8-9.5) 1.89 3.25 -9.29 1 3 0 46 245.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(cyclopropylmethyl)propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-(cyclopropylmethy…

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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) 1.89 4.1 -51.31 2 3 1 51 246.396 5 ↓
Hi High (pH 8-9.5) 1.89 3.14 -9.36 1 3 0 46 245.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-(cyclopropylmethy…

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) 1.89 4.12 -51.29 2 3 1 51 246.396 5 ↓
Hi High (pH 8-9.5) 1.89 3.09 -10.15 1 3 0 46 245.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-(cyclopropylmethy…

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) 1.89 3.97 -49.96 2 3 1 51 246.396 5 ↓
Hi High (pH 8-9.5) 1.89 3.15 -10.34 1 3 0 46 245.388 5 ↓

Parameters Provided:

ring.id = 385303
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 = 385303 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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