UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37856576
37856576
37856577
37856577
37862463
37862463
37862464
37862464

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Popular Name: (1S)-2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-1-phenyl-ethanol (1S)-2-[(4-fluorophenyl)methyl-(…

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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) 4.02 8.83 -6.18 1 2 0 23 341.451 7 ↓
Lo Low (pH 4.5-6) 4.02 10.65 -44.16 2 2 1 25 342.459 7 ↓

Analogs

37856576
37856576
37856577
37856577
37862463
37862463
37862464
37862464

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-1-phenyl-ethanol (1R)-2-[(4-fluorophenyl)methyl-(…

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) 4.02 8.82 -5.51 1 2 0 23 341.451 7 ↓
Lo Low (pH 4.5-6) 4.02 10.96 -43.21 2 2 1 25 342.459 7 ↓

Parameters Provided:

ring.id = 48323
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 = 48323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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