UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-indan-5-ylcyclopropanecarboxylic 1-indan-5-ylcyclopropanecarboxylic

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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) 2.02 8.85 -52 0 2 -1 40 201.245 2 ↓

Analogs

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Popular Name: (1S,2S)-2-indan-5-ylcyclopropanamine (1S,2S)-2-indan-5-ylcyclopropana…

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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) 1.84 5.99 -39.4 3 1 1 28 174.267 1 ↓
Hi High (pH 8-9.5) 1.84 5.69 -2.49 2 1 0 26 173.259 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-indan-5-ylcyclopropanamine (1S,2R)-2-indan-5-ylcyclopropana…

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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) 1.84 5.83 -43.57 3 1 1 28 174.267 1 ↓
Hi High (pH 8-9.5) 1.84 5.5 -2.67 2 1 0 26 173.259 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-indan-5-ylcyclopropanamine (1R,2S)-2-indan-5-ylcyclopropana…

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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) 1.84 5.83 -43.54 3 1 1 28 174.267 1 ↓
Hi High (pH 8-9.5) 1.84 5.51 -3.15 2 1 0 26 173.259 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-indan-5-ylcyclopropanamine (1R,2R)-2-indan-5-ylcyclopropana…

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) 1.84 5.99 -39.34 3 1 1 28 174.267 1 ↓
Hi High (pH 8-9.5) 1.84 5.67 -3.34 2 1 0 26 173.259 1 ↓

Parameters Provided:

ring.id = 25330
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 = 25330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=25330&filter.purchasability=annotated

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