UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

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Popular Name: (4R)-6-chloro-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiochroman-4-amine (4R)-6-chloro-N-[[(2S)-tetrahydr…

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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) 2.32 7.52 -40.32 2 2 1 26 284.832 3 ↓
Hi High (pH 8-9.5) 2.32 6.62 -4.59 1 2 0 21 283.824 3 ↓

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiochroman-4-amine (4S)-6-chloro-N-[[(2S)-tetrahydr…

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) 2.32 7.47 -41.07 2 2 1 26 284.832 3 ↓
Hi High (pH 8-9.5) 2.32 6.26 -4.51 1 2 0 21 283.824 3 ↓

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiochroman-4-amine (4R)-6-chloro-N-[[(2R)-tetrahydr…

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) 2.32 7.5 -41.11 2 2 1 26 284.832 3 ↓
Hi High (pH 8-9.5) 2.32 6.69 -3.58 1 2 0 21 283.824 3 ↓

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiochroman-4-amine (4S)-6-chloro-N-[[(2R)-tetrahydr…

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) 2.32 7.55 -40.36 2 2 1 26 284.832 3 ↓
Hi High (pH 8-9.5) 2.32 6.3 -2.84 1 2 0 21 283.824 3 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1S)-1-[(2S)-te…

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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) 2.12 7.09 -45.23 2 2 1 26 282.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1R)-1-[(2S)-te…

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) 2.12 7.5 -42.74 2 2 1 26 282.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1S)-1-[(2R)-te…

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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) 2.12 6.82 -44.61 2 2 1 26 282.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1R)-1-[(2R)-te…

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) 2.12 7.74 -42.37 2 2 1 26 282.404 3 ↓

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-[(2S)-te…

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) 2.65 7.55 -40.4 2 2 1 26 298.859 3 ↓

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-[(2S)-te…

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) 2.65 7.97 -37.71 2 2 1 26 298.859 3 ↓

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-[(2R)-te…

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) 2.65 7.29 -39.76 2 2 1 26 298.859 3 ↓

Analogs

42816738
42816738
42816743
42816743
42816748
42816748
42816752
42816752

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-[(2R)-te…

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) 2.65 8.22 -37.47 2 2 1 26 298.859 3 ↓

Parameters Provided:

ring.id = 541801
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 = 541801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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