UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-4-(2-fluorophenyl)-2-hydroxy-3,9-dimethyl-7-phenyl-3,5,7,8-tetraza-2$l^{5}-phosphabicyclo[4.3.0 (2R)-4-(2-fluorophenyl)-2-hydrox…

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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) 0.44 9.7 -36.39 1 6 0 78 370.324 2 ↓

Analogs

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Popular Name: 3-[(2S)-4-(2-fluorophenyl)-3,9-dimethyl-2-(4-nitroanilino)-2-oxo-3,5,7,8-tetraza-2$l^{5}-phosphabicy 3-[(2S)-4-(2-fluorophenyl)-3,9-d…

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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) 0.36 10.95 -49.36 2 10 1 136 468.409 6 ↓

Analogs

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Popular Name: 3-[(2S)-4-(4-fluorophenyl)-3,9-dimethyl-2-(2-nitroanilino)-2-oxo-3,5,7,8-tetraza-2$l^{5}-phosphabicy 3-[(2S)-4-(4-fluorophenyl)-3,9-d…

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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) 0.36 11.52 -48 2 10 1 136 468.409 6 ↓

Analogs

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Popular Name: 3-[(2S)-4-(2-fluorophenyl)-2-(2-methoxy-5-nitro-anilino)-3,9-dimethyl-2-oxo-3,5,7,8-tetraza-2$l^{5}- 3-[(2S)-4-(2-fluorophenyl)-2-(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) 0.34 10.43 -40.31 2 11 1 145 498.435 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-4-(4-fluorophenyl)-3,9-dimethyl-2-(4-nitroanilino)-2-oxo-3,5,7,8-tetraza-2$l^{5}-phosphabicy 3-[(2S)-4-(4-fluorophenyl)-3,9-d…

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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) 0.41 11.02 -55.31 2 10 1 136 468.409 6 ↓

Parameters Provided:

ring.id = 141992
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 = 141992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=141992&filter.purchasability=annotated

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