UCSF
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Popular Name: (3S)-3-ethyl-N-[(4R)-thiochroman-4-yl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(4R)-thiochroman…

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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) 1.73 7.15 -48.61 3 3 1 46 305.467 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[(4R)-thiochroman-4-yl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(4R)-thiochroman…

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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) 1.73 6.96 -38.12 3 3 1 46 305.467 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[(4S)-thiochroman-4-yl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(4S)-thiochroman…

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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) 1.73 6.91 -37.89 3 3 1 46 305.467 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[(4S)-thiochroman-4-yl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(4S)-thiochroman…

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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) 1.73 6.75 -47.27 3 3 1 46 305.467 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(4R)-thiochroman-4-yl]piperidine-3-carboxamide (3S)-3-methyl-N-[(4R)-thiochroma…

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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) 1.40 6.31 -38.68 3 3 1 46 291.44 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(4R)-thiochroman-4-yl]piperidine-3-carboxamide (3R)-3-methyl-N-[(4R)-thiochroma…

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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) 1.40 6.53 -37.64 3 3 1 46 291.44 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(4S)-thiochroman-4-yl]piperidine-3-carboxamide (3S)-3-methyl-N-[(4S)-thiochroma…

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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) 1.40 6.53 -37.63 3 3 1 46 291.44 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(4S)-thiochroman-4-yl]piperidine-3-carboxamide (3R)-3-methyl-N-[(4S)-thiochroma…

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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) 1.40 6.51 -38.32 3 3 1 46 291.44 2 ↓

Analogs

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Popular Name: (3S)-N-[(4R)-6-fluorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-[(4R)-6-fluorothiochroman…

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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) 1.54 6.38 -35.74 3 3 1 46 309.43 2 ↓

Analogs

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Popular Name: (3R)-N-[(4R)-6-fluorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-[(4R)-6-fluorothiochroman…

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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) 1.54 6.6 -37.27 3 3 1 46 309.43 2 ↓

Analogs

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Popular Name: (3S)-N-[(4S)-6-fluorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-[(4S)-6-fluorothiochroman…

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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) 1.54 6.6 -37.24 3 3 1 46 309.43 2 ↓

Analogs

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Popular Name: (3R)-N-[(4S)-6-fluorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-[(4S)-6-fluorothiochroman…

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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) 1.54 6.58 -36.1 3 3 1 46 309.43 2 ↓

Analogs

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Popular Name: (3S)-N-[(4R)-6-chlorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-[(4R)-6-chlorothiochroman…

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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) 2.05 6.82 -35.63 3 3 1 46 325.885 2 ↓

Analogs

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Popular Name: (3R)-N-[(4R)-6-chlorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-[(4R)-6-chlorothiochroman…

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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) 2.05 7.04 -36.8 3 3 1 46 325.885 2 ↓

Analogs

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Popular Name: (3S)-N-[(4S)-6-chlorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-[(4S)-6-chlorothiochroman…

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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) 2.05 7.04 -36.82 3 3 1 46 325.885 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4S)-6-chlorothiochroman-4-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-[(4S)-6-chlorothiochroman…

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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) 2.05 7.02 -35.92 3 3 1 46 325.885 2 ↓

Parameters Provided:

ring.id = 155980
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 = 155980 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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