UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S,6S)-2-cyclopropyl-6-(methoxymethyl)morpholine (2S,6S)-2-cyclopropyl-6-(methoxy…

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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) 0.42 2.53 -43.69 2 3 1 35 172.248 3 ↓
Hi High (pH 8-9.5) 0.42 1.16 -4.36 1 3 0 30 171.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-cyclopropyl-6-(methoxymethyl)morpholine (2S,6R)-2-cyclopropyl-6-(methoxy…

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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) 0.42 2.46 -43.54 2 3 1 35 172.248 3 ↓
Hi High (pH 8-9.5) 0.42 1.23 -3.76 1 3 0 30 171.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-2-cyclopropyl-6-(methoxymethyl)morpholine (2R,6S)-2-cyclopropyl-6-(methoxy…

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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) 0.42 2.3 -43.08 2 3 1 35 172.248 3 ↓
Hi High (pH 8-9.5) 0.42 0.94 -4 1 3 0 30 171.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-cyclopropyl-6-(methoxymethyl)morpholine (2R,6R)-2-cyclopropyl-6-(methoxy…

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) 0.42 2.34 -43.22 2 3 1 35 172.248 3 ↓
Hi High (pH 8-9.5) 0.42 0.99 -4.28 1 3 0 30 171.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2-cyclopropyl-6-(ethoxymethyl)morpholine (2S,6S)-2-cyclopropyl-6-(ethoxym…

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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) 0.80 3.49 -43.58 2 3 1 35 186.275 4 ↓
Hi High (pH 8-9.5) 0.80 2.13 -4.33 1 3 0 30 185.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-cyclopropyl-6-(ethoxymethyl)morpholine (2S,6R)-2-cyclopropyl-6-(ethoxym…

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) 0.80 3.42 -43.59 2 3 1 35 186.275 4 ↓
Hi High (pH 8-9.5) 0.80 2.2 -3.7 1 3 0 30 185.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-2-cyclopropyl-6-(ethoxymethyl)morpholine (2R,6S)-2-cyclopropyl-6-(ethoxym…

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) 0.80 3.27 -43.19 2 3 1 35 186.275 4 ↓
Hi High (pH 8-9.5) 0.80 1.9 -3.92 1 3 0 30 185.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-cyclopropyl-6-(ethoxymethyl)morpholine (2R,6R)-2-cyclopropyl-6-(ethoxym…

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) 0.80 3.31 -43.14 2 3 1 35 186.275 4 ↓
Hi High (pH 8-9.5) 0.80 1.95 -4.18 1 3 0 30 185.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2-cyclopropyl-6-(isopropoxymethyl)morpholine (2S,6S)-2-cyclopropyl-6-(isoprop…

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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) 1.16 4.25 -43.37 2 3 1 35 200.302 4 ↓
Hi High (pH 8-9.5) 1.16 2.88 -4.22 1 3 0 30 199.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-cyclopropyl-6-(isopropoxymethyl)morpholine (2S,6R)-2-cyclopropyl-6-(isoprop…

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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) 1.16 4.18 -43.68 2 3 1 35 200.302 4 ↓
Hi High (pH 8-9.5) 1.16 2.95 -3.53 1 3 0 30 199.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-2-cyclopropyl-6-(isopropoxymethyl)morpholine (2R,6S)-2-cyclopropyl-6-(isoprop…

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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) 1.16 4.02 -43.24 2 3 1 35 200.302 4 ↓
Hi High (pH 8-9.5) 1.16 2.66 -3.76 1 3 0 30 199.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2-cyclopropyl-6-(isopropoxymethyl)morpholine (2R,6R)-2-cyclopropyl-6-(isoprop…

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) 1.16 4.06 -43.06 2 3 1 35 200.302 4 ↓
Hi High (pH 8-9.5) 1.16 2.7 -4.05 1 3 0 30 199.294 4 ↓

Parameters Provided:

ring.id = 242995
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 = 242995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=242995&filter.purchasability=annotated

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