UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4888819
4888819
6720033
6720033
6720034
6720034
39325198
39325198
39325201
39325201

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Popular Name: 4-amino-2-(1-cyclohex-2-enyl)-9-(phenylsulfanylmethyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-trien 4-amino-2-(1-cyclohex-2-enyl)-9-…

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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) 3.44 5.41 -8.62 3 5 0 88 364.474 4 ↓
Lo Low (pH 4.5-6) 3.45 6.56 -48.9 4 5 1 89 365.482 4 ↓

Analogs

6720033
6720033
6720034
6720034
39325198
39325198
39325201
39325201
4888816
4888816

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(1-cyclohex-2-enyl)-9-(phenylsulfanylmethyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-trien 4-amino-2-(1-cyclohex-2-enyl)-9-…

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) 3.44 5.51 -8.91 3 5 0 88 364.474 4 ↓
Lo Low (pH 4.5-6) 3.45 6.65 -49.5 4 5 1 89 365.482 4 ↓

Parameters Provided:

ring.id = 249124
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 = 249124 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=249124&filter.purchasability=annotated

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