UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017313
35017313
35017315
35017315
35017318
35017318

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Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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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) 2.38 10.52 -41.73 1 12 -1 157 508.529 11 ↓
Mid Mid (pH 6-8) 3.13 11.64 -20 2 12 0 150 509.537 12 ↓

Analogs

35017315
35017315
35017318
35017318
35017310
35017310

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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) 2.38 10.52 -41.19 1 12 -1 157 508.529 11 ↓
Mid Mid (pH 6-8) 3.13 11.64 -20.07 2 12 0 150 509.537 12 ↓

Analogs

35017318
35017318
35017310
35017310
35017313
35017313

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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) 2.38 10.54 -40.9 1 12 -1 157 508.529 11 ↓
Mid Mid (pH 6-8) 3.13 11.66 -19.49 2 12 0 150 509.537 12 ↓

Analogs

35017310
35017310
35017313
35017313
35017315
35017315

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-nitrophenyl)ethyl 2-(3-nitrophenyl)ethyl

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) 2.38 10.54 -42.43 1 12 -1 157 508.529 11 ↓
Mid Mid (pH 6-8) 3.13 11.66 -20.73 2 12 0 150 509.537 12 ↓

Parameters Provided:

ring.id = 14943
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 = 14943 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14943&filter.purchasability=annotated

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