UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12937295
12937295
12937303
12937303
12937308
12937308
12937313
12937313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R,2S)-1-hydroxy-2-[[(2R)-2-hydroxy-3-[(R)-o-tolyl(phenyl)methoxy]propyl]amino]propyl]phenol 4-[(1R,2S)-1-hydroxy-2-[[(2R)-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) 3.68 5.62 -48.1 5 5 1 87 422.545 10 ↓
Hi High (pH 8-9.5) 3.68 5.92 -35.1 4 5 0 89 421.537 10 ↓

Analogs

12937295
12937295
12937303
12937303
12937308
12937308
12937313
12937313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R,2S)-1-hydroxy-2-[[(2R)-2-hydroxy-3-[(S)-o-tolyl(phenyl)methoxy]propyl]amino]propyl]phenol 4-[(1R,2S)-1-hydroxy-2-[[(2R)-2-…

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) 3.68 5.69 -48.04 5 5 1 87 422.545 10 ↓
Hi High (pH 8-9.5) 3.68 6 -34.98 4 5 0 89 421.537 10 ↓

Analogs

12937295
12937295
12937303
12937303
12937308
12937308
12937313
12937313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-[(R)-o-tolyl(phenyl)methoxy]propyl]amino]propyl]phenol 4-[(1R,2S)-1-hydroxy-2-[[(2S)-2-…

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) 3.68 5.63 -47.72 5 5 1 87 422.545 10 ↓
Hi High (pH 8-9.5) 3.68 5.94 -34.99 4 5 0 89 421.537 10 ↓

Analogs

12937295
12937295
12937303
12937303
12937308
12937308
12937313
12937313

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-[(S)-o-tolyl(phenyl)methoxy]propyl]amino]propyl]phenol 4-[(1R,2S)-1-hydroxy-2-[[(2S)-2-…

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) 3.68 5.72 -47.95 5 5 1 87 422.545 10 ↓
Hi High (pH 8-9.5) 3.68 6.04 -34.62 4 5 0 89 421.537 10 ↓

Parameters Provided:

ring.id = 561958
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 = 561958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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