UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34961155
34961155
34961157
34961157

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Popular Name: (4-chlorophenyl)methylBLAH (4-chlorophenyl)methylBLAH

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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) 2.19 4.37 -14.06 0 4 0 47 311.79 2 ↓

Analogs

34961155
34961155
34961157
34961157

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Popular Name: (2-fluorophenyl)methylBLAH (2-fluorophenyl)methylBLAH

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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) 1.62 3.84 -12.86 0 4 0 47 295.335 2 ↓

Analogs

34961155
34961155
34961157
34961157

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)methylBLAH (3-chlorophenyl)methylBLAH

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) 2.16 4.36 -15.99 0 4 0 47 311.79 2 ↓

Analogs

34961155
34961155
34961157
34961157

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)methylBLAH (4-fluorophenyl)methylBLAH

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) 1.67 3.92 -14.68 0 4 0 47 295.335 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-nitrophenyl)methylBLAH (3-nitrophenyl)methylBLAH

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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) 1.44 4.57 -23.23 0 7 0 92 322.342 3 ↓

Analogs

34961155
34961155

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Popular Name: [3-(trifluoromethyl)phenyl]methylBLAH [3-(trifluoromethyl)phenyl]methy…

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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) 2.38 4.85 -17.3 0 4 0 47 345.342 3 ↓

Parameters Provided:

ring.id = 254770
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 = 254770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=254770&filter.purchasability=annotated

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