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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: (2R,4S,5R)-N-[(4R)-chroman-4-yl]-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5R)-N-[(4R)-chroman-4-yl]…

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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) 2.14 7.82 -101.07 3 3 2 30 276.424 2 ↓
Hi High (pH 8-9.5) 2.14 7.39 -36.34 2 3 1 26 275.416 2 ↓
Hi High (pH 8-9.5) 2.14 5.88 -40.98 2 3 1 29 275.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-N-[(4R)-chroman-4-yl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-[(4R)-chroman-4-yl]…

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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) 2.14 7.75 -105.5 3 3 2 30 276.424 2 ↓
Hi High (pH 8-9.5) 2.14 7.63 -35.2 2 3 1 26 275.416 2 ↓
Hi High (pH 8-9.5) 2.14 5.5 -36.32 2 3 1 29 275.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-N-[(4R)-chroman-4-yl]-1,2,5-trimethyl-piperidin-4-amine (2R,4R,5R)-N-[(4R)-chroman-4-yl]…

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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) 2.14 8.05 -109.03 3 3 2 30 276.424 2 ↓
Hi High (pH 8-9.5) 2.14 7.15 -37.95 2 3 1 26 275.416 2 ↓
Hi High (pH 8-9.5) 2.14 5.78 -38.88 2 3 1 29 275.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-N-[(4R)-chroman-4-yl]-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5R)-N-[(4R)-chroman-4-yl]…

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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) 2.14 8.39 -109.18 3 3 2 30 276.424 2 ↓
Hi High (pH 8-9.5) 2.14 7.46 -37.5 2 3 1 26 275.416 2 ↓
Hi High (pH 8-9.5) 2.14 6.07 -38.92 2 3 1 29 275.416 2 ↓

Analogs

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Popular Name: N-[(4R)-6-bromochroman-4-yl]-1-isopropyl-piperidin-4-amine N-[(4R)-6-bromochroman-4-yl]-1-i…

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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) 2.80 7.92 -35.16 2 3 1 26 354.312 3 ↓
Mid Mid (pH 6-8) 2.80 5.97 -42.57 2 3 1 29 354.312 3 ↓

Analogs

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Popular Name: N-[(4S)-6-bromochroman-4-yl]-1-isopropyl-piperidin-4-amine N-[(4S)-6-bromochroman-4-yl]-1-i…

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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) 2.80 8.23 -35.2 2 3 1 26 354.312 3 ↓
Mid Mid (pH 6-8) 2.80 6.63 -40.6 2 3 1 29 354.312 3 ↓

Analogs

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Popular Name: N-[(4R)-6-bromochroman-4-yl]-1-propyl-piperidin-4-amine N-[(4R)-6-bromochroman-4-yl]-1-p…

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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) 3.00 8.23 -37.36 2 3 1 26 354.312 4 ↓
Mid Mid (pH 6-8) 3.00 7.03 -40.78 2 3 1 29 354.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-6-bromochroman-4-yl]-1-propyl-piperidin-4-amine N-[(4S)-6-bromochroman-4-yl]-1-p…

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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) 3.00 8.37 -37.97 2 3 1 26 354.312 4 ↓
Mid Mid (pH 6-8) 3.00 6.39 -42.78 2 3 1 29 354.312 4 ↓

Analogs

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Popular Name: N-[(4R)-chroman-4-yl]-1-prop-2-ynyl-piperidin-4-amine N-[(4R)-chroman-4-yl]-1-prop-2-y…

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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) 1.50 6.17 -42.61 2 3 1 29 271.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-chroman-4-yl]-1-prop-2-ynyl-piperidin-4-amine N-[(4S)-chroman-4-yl]-1-prop-2-y…

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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) 1.50 5.52 -43.3 2 3 1 29 271.384 3 ↓

Analogs

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Popular Name: 4-[[(4R)-chroman-4-yl]amino]piperidine-1-carboxamide 4-[[(4R)-chroman-4-yl]amino]pipe…

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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) 0.61 3.67 -52.63 4 5 1 72 276.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4S)-chroman-4-yl]amino]piperidine-1-carboxamide 4-[[(4S)-chroman-4-yl]amino]pipe…

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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) 0.61 3.03 -55.36 4 5 1 72 276.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(4R)-6-bromochroman-4-yl]amino]-1-piperidyl]ethanone 1-[4-[[(4R)-6-bromochroman-4-yl]…

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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) 1.48 6.18 -55.94 2 4 1 46 354.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(4S)-6-bromochroman-4-yl]amino]-1-piperidyl]ethanone 1-[4-[[(4S)-6-bromochroman-4-yl]…

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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) 1.48 6.84 -52.45 2 4 1 46 354.268 2 ↓

Parameters Provided:

ring.id = 134978
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 = 134978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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