UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48405691
48405691
48416526
48416526
48416528
48416528
17052448
17052448
4650972
4650972

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Popular Name: 1-[2-[[(1S)-indan-1-yl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1S)-indan-1-yl]amino]-2-…

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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) 2.26 9.07 -66.03 1 4 -1 69 286.351 4 ↓
Lo Low (pH 4.5-6) 2.26 7.11 -15.43 2 4 0 66 287.359 4 ↓

Analogs

48405691
48405691
48416526
48416526
48416528
48416528
17052448
17052448
4650972
4650972

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-indan-1-yl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1R)-indan-1-yl]amino]-2-…

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) 2.26 9.01 -62.05 1 4 -1 69 286.351 4 ↓
Lo Low (pH 4.5-6) 2.26 7.04 -14.77 2 4 0 66 287.359 4 ↓

Parameters Provided:

ring.id = 122261
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 = 122261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=122261&filter.purchasability=annotated

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