UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(1S)-1-methyl-2-(1…

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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) 2.88 9.29 -111 3 2 2 21 236.403 4 ↓
Hi High (pH 8-9.5) 2.88 8.69 -32.84 2 2 1 16 235.395 4 ↓
Mid Mid (pH 6-8) 2.88 7.53 -31.04 2 2 1 20 235.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(1R)-1-methyl-2-(1…

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) 2.88 9.14 -108.68 3 2 2 21 236.403 4 ↓
Hi High (pH 8-9.5) 2.88 8.46 -31.38 2 2 1 16 235.395 4 ↓
Mid Mid (pH 6-8) 2.88 7.31 -33.54 2 2 1 20 235.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1S)-1-methyl-2-(1…

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) 2.88 9.17 -114.89 3 2 2 21 236.403 4 ↓
Hi High (pH 8-9.5) 2.88 7.89 -33.81 2 2 1 16 235.395 4 ↓
Mid Mid (pH 6-8) 2.88 7.32 -32.81 2 2 1 20 235.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1R)-1-methyl-2-(1…

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) 2.88 9.05 -114.62 3 2 2 21 236.403 4 ↓
Hi High (pH 8-9.5) 2.88 8.06 -30.1 2 2 1 16 235.395 4 ↓
Mid Mid (pH 6-8) 2.88 7.18 -33.19 2 2 1 20 235.395 4 ↓

Parameters Provided:

ring.id = 564138
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 = 564138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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