UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (4R)-6-fluoro-N-[(1S)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-3-(2-furyl…

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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) 3.10 9.32 -48.78 2 2 1 30 306.426 5 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-3-(2-furyl…

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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) 3.10 9.95 -45.72 2 2 1 30 306.426 5 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1S)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-3-(2-furyl…

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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) 3.10 9.94 -46.3 2 2 1 30 306.426 5 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-3-(2-furyl…

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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) 3.10 9.3 -47.48 2 2 1 30 306.426 5 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1S)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-3-(2-furyl…

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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) 3.61 9.76 -47.96 2 2 1 30 322.881 5 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-3-(2-furyl…

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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) 3.61 10.4 -44.91 2 2 1 30 322.881 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1S)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-3-(2-furyl…

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) 3.61 10.41 -45.47 2 2 1 30 322.881 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-3-(2-furyl…

Find On: PubMed — Wikipedia — Google

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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) 3.61 9.75 -46.69 2 2 1 30 322.881 5 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[(1S)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1S)-3-(2-furyl…

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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) 3.07 9.29 -54.42 2 2 1 30 306.426 5 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1R)-3-(2-furyl…

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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) 3.07 9.92 -50.73 2 2 1 30 306.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1S)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4S)-8-fluoro-N-[(1S)-3-(2-furyl…

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) 3.07 9.93 -51.64 2 2 1 30 306.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]thiochroman-4-amine (4S)-8-fluoro-N-[(1R)-3-(2-furyl…

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) 3.07 9.28 -52.71 2 2 1 30 306.426 5 ↓

Parameters Provided:

ring.id = 125498
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 = 125498 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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