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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52271661
52271661
52271662
52271662
52271664
52271664
52271666
52271666
35732997
35732997

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Popular Name: (4R)-N-[(1S)-1-(1-methylcyclopropyl)ethyl]chroman-4-amine (4R)-N-[(1S)-1-(1-methylcyclopro…

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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) 2.07 7.09 -38.85 2 2 1 26 232.347 3 ↓

Analogs

52271661
52271661
52271662
52271662
52271664
52271664
52271666
52271666
35732997
35732997

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(1-methylcyclopropyl)ethyl]chroman-4-amine (4R)-N-[(1R)-1-(1-methylcyclopro…

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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) 2.07 7.77 -36.86 2 2 1 26 232.347 3 ↓

Analogs

44674565
44674565
44674567
44674567
44674569
44674569
44674571
44674571
52271661
52271661

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-(1-methylcyclopropyl)ethyl]chroman-4-amine (4S)-N-[(1S)-1-(1-methylcyclopro…

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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) 2.07 7.63 -36.93 2 2 1 26 232.347 3 ↓

Analogs

44674565
44674565
44674567
44674567
44674569
44674569
44674571
44674571
52271661
52271661

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(1-methylcyclopropyl)ethyl]chroman-4-amine (4S)-N-[(1R)-1-(1-methylcyclopro…

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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) 2.07 7.1 -38.82 2 2 1 26 232.347 3 ↓

Analogs

44516776
44516776
44516778
44516778
44517835
44517835
44517836
44517836

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Popular Name: (4R)-6-bromo-N-(cyclopropylmethyl)chroman-4-amine (4R)-6-bromo-N-(cyclopropylmethy…

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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) 2.57 7.19 -41.37 2 2 1 26 283.189 3 ↓

Analogs

44516776
44516776
44516778
44516778
44517835
44517835
44517836
44517836
44675652
44675652

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-bromo-N-(cyclopropylmethyl)chroman-4-amine (4S)-6-bromo-N-(cyclopropylmethy…

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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) 2.57 7.19 -41.21 2 2 1 26 283.189 3 ↓

Analogs

52274681
52274681
52274684
52274684
52274686
52274686
52274688
52274688

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(cyclopropylmethyl)-6-methoxy-chroman-4-amine (4R)-N-(cyclopropylmethyl)-6-met…

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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) 1.82 5.85 -40.29 2 3 1 35 234.319 4 ↓

Analogs

52274681
52274681
52274684
52274684
52274686
52274686
52274688
52274688

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(cyclopropylmethyl)-6-methoxy-chroman-4-amine (4S)-N-(cyclopropylmethyl)-6-met…

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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) 1.82 5.85 -40.18 2 3 1 35 234.319 4 ↓

Analogs

52274697
52274697
52274700
52274700
52274701
52274701
52274703
52274703

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

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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) 3.05 7.64 -45.62 2 2 1 26 273.183 3 ↓

Analogs

52274697
52274697
52274700
52274700
52274701
52274701
52274703
52274703

Draw Identity 99% 90% 80% 70%

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

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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) 3.05 7.64 -45.41 2 2 1 26 273.183 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.13 3.37 -40.81 3 3 1 46 234.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.13 3.37 -40.81 3 3 1 46 234.319 4 ↓

Parameters Provided:

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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 = 134925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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