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

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-cycloheptylchroman-4-amine (4R)-N-cycloheptylchroman-4-amine

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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) 3.33 7.95 -41.22 2 2 1 26 246.374 2 ↓

Analogs

21800327
21800327
21800330
21800330
21800332
21800332
21800335
21800335
21815177
21815177

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Popular Name: (4S)-N-cycloheptylchroman-4-amine (4S)-N-cycloheptylchroman-4-amine

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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) 3.33 7.89 -41.25 2 2 1 26 246.374 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(4R)-chroman-4-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(4R)-chroman-4-yl]am…

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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) 2.98 7.43 -8.94 1 3 0 45 270.376 2 ↓
Mid Mid (pH 6-8) 2.98 8.12 -44.56 2 3 1 50 271.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(4S)-chroman-4-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(4S)-chroman-4-yl]am…

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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) 2.98 7.1 -8.87 1 3 0 45 270.376 2 ↓
Mid Mid (pH 6-8) 2.98 7.48 -44.59 2 3 1 50 271.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(4R)-chroman-4-yl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(4R)-chroman-4-yl]am…

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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) 2.98 7.66 -7.91 1 3 0 45 270.376 2 ↓
Mid Mid (pH 6-8) 2.98 7.49 -38.91 2 3 1 50 271.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(4S)-chroman-4-yl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(4S)-chroman-4-yl]am…

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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) 2.98 7.53 -9.08 1 3 0 45 270.376 2 ↓
Mid Mid (pH 6-8) 2.98 8.21 -43.16 2 3 1 50 271.384 2 ↓

Analogs

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Popular Name: (4R)-6-bromo-N-cycloheptyl-chroman-4-amine (4R)-6-bromo-N-cycloheptyl-chrom…

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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) 4.11 8.41 -40.33 2 2 1 26 325.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-cycloheptyl-chroman-4-amine (4S)-6-bromo-N-cycloheptyl-chrom…

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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) 4.11 7.8 -41.97 2 2 1 26 325.27 2 ↓

Analogs

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Popular Name: (4R)-N-cycloheptyl-6-methoxy-chroman-4-amine (4R)-N-cycloheptyl-6-methoxy-chr…

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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) 3.36 7.08 -39.13 2 3 1 35 276.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cycloheptyl-6-methoxy-chroman-4-amine (4S)-N-cycloheptyl-6-methoxy-chr…

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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) 3.36 6.48 -40.9 2 3 1 35 276.4 3 ↓

Analogs

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Popular Name: (4R)-6,8-dichloro-N-cycloheptyl-chroman-4-amine (4R)-6,8-dichloro-N-cycloheptyl-…

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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) 4.59 8.87 -44.42 2 2 1 26 315.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6,8-dichloro-N-cycloheptyl-chroman-4-amine (4S)-6,8-dichloro-N-cycloheptyl-…

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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) 4.59 8.26 -46.39 2 2 1 26 315.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-(cycloheptylamino)chroman-4-yl]methanol [(4S)-4-(cycloheptylamino)chroma…

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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) 3.67 3.95 -40.91 3 3 1 46 276.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-(cycloheptylamino)chroman-4-yl]methanol [(4R)-4-(cycloheptylamino)chroma…

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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) 3.67 4.19 -39.69 3 3 1 46 276.4 3 ↓

Parameters Provided:

ring.id = 23710
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 = 23710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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