UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2S,5R)-2-amino-5-methyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2S,5R)-2-amino-5-methyl-c…

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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) 1.93 4.55 -52.7 4 4 1 66 275.372 2 ↓

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2S,5S)-2-amino-5-methyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2S,5S)-2-amino-5-methyl-c…

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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) 1.93 4.46 -51.7 4 4 1 66 275.372 2 ↓

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2R,5R)-2-amino-5-methyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2R,5R)-2-amino-5-methyl-c…

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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) 1.93 4.37 -49.81 4 4 1 66 275.372 2 ↓

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2R,5S)-2-amino-5-methyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2R,5S)-2-amino-5-methyl-c…

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) 1.93 4.16 -49.37 4 4 1 66 275.372 2 ↓

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2S,5R)-2-amino-5-ethyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2S,5R)-2-amino-5-ethyl-cy…

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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) 2.61 5.22 -48.64 4 4 1 66 289.399 3 ↓

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2S,5S)-2-amino-5-ethyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2S,5S)-2-amino-5-ethyl-cy…

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) 2.61 5.1 -51.92 4 4 1 66 289.399 3 ↓

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2R,5R)-2-amino-5-ethyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2R,5R)-2-amino-5-ethyl-cy…

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) 2.61 5.03 -50.09 4 4 1 66 289.399 3 ↓

Analogs

23065971
23065971
19263360
19263360

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,2R,5S)-2-amino-5-ethyl-cyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 6-[(1R,2R,5S)-2-amino-5-ethyl-cy…

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) 2.61 4.78 -50.22 4 4 1 66 289.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-6-[(1S,3R)-3-methoxycyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[(1S,3R)-3-methoxycycl…

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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) 2.21 3.44 -8.64 3 5 0 74 290.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-6-[(1S,3S)-3-methoxycyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[(1S,3S)-3-methoxycycl…

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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) 2.21 3.54 -8.14 3 5 0 74 290.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-6-[(1R,3R)-3-methoxycyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[(1R,3R)-3-methoxycycl…

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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) 2.21 3.6 -7.62 3 5 0 74 290.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-6-[(1R,3S)-3-methoxycyclohexoxy]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[(1R,3S)-3-methoxycycl…

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) 2.21 3.45 -8.62 3 5 0 74 290.363 3 ↓

Parameters Provided:

ring.id = 119995
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 = 119995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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