UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7,8,9,10-tetrahydro-1H-benzo[f][1,4]benzothiazin (3R)-3-[3-[4-(4-fluorophenyl)pip…

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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) 4.83 13.6 -48.72 2 4 1 37 440.608 5 ↓
Mid Mid (pH 6-8) 4.83 11.38 -8.14 1 4 0 36 439.6 5 ↓

Analogs

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Popular Name: (3S)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7,8,9,10-tetrahydro-1H-benzo[f][1,4]benzothiazin (3S)-3-[3-[4-(4-fluorophenyl)pip…

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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) 4.83 13.61 -48.7 2 4 1 37 440.608 5 ↓
Mid Mid (pH 6-8) 4.83 11.4 -8.15 1 4 0 36 439.6 5 ↓

Analogs

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Popular Name: (3S)-3-(3-bromopropyl)-7,8,9,10-tetrahydro-1H-benzo[f][1,4]benzothiazin-2-one (3S)-3-(3-bromopropyl)-7,8,9,10-…

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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) 3.79 9.06 -5.83 1 2 0 29 340.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3-bromopropyl)-7,8,9,10-tetrahydro-1H-benzo[f][1,4]benzothiazin-2-one (3R)-3-(3-bromopropyl)-7,8,9,10-…

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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) 3.79 9.03 -5.85 1 2 0 29 340.286 3 ↓

Parameters Provided:

ring.id = 195068
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 = 195068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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