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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36158797
36158797
35744406
35744406
35744408
35744408
35744422
35744422
35744424
35744424

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2R)-2-hydroxy-3-phenyl-propyl]-isobutyl-amino]methylBLAHone [[(2R)-2-hydroxy-3-phenyl-propyl…

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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) 3.59 10.16 -56.2 3 5 1 70 412.579 8 ↓
Hi High (pH 8-9.5) 4.05 7.81 -50.77 2 5 0 74 411.571 8 ↓
Hi High (pH 8-9.5) 3.59 9.52 -15.29 2 5 0 69 411.571 8 ↓

Analogs

36158794
36158794
35744406
35744406
35744408
35744408
35744422
35744422
35744424
35744424

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-hydroxy-3-phenyl-propyl]-isobutyl-amino]methylBLAHone [[(2S)-2-hydroxy-3-phenyl-propyl…

Find On: PubMed — Wikipedia — Google

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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) 3.59 10.87 -58.99 3 5 1 70 412.579 8 ↓
Hi High (pH 8-9.5) 4.05 7.86 -53.07 2 5 0 74 411.571 8 ↓
Hi High (pH 8-9.5) 3.59 8.83 -13.95 2 5 0 69 411.571 8 ↓

Analogs

36158957
36158957

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2R)-2-hydroxy-3-phenyl-propyl]-isopropyl-amino]methylBLAHone [[(2R)-2-hydroxy-3-phenyl-propyl…

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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) 3.14 9.67 -55.26 3 5 1 70 398.552 7 ↓
Hi High (pH 8-9.5) 3.60 6.76 -51.87 2 5 0 74 397.544 7 ↓

Analogs

36158954
36158954

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-hydroxy-3-phenyl-propyl]-isopropyl-amino]methylBLAHone [[(2S)-2-hydroxy-3-phenyl-propyl…

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) 3.14 9.63 -54.74 3 5 1 70 398.552 7 ↓
Hi High (pH 8-9.5) 3.60 7.16 -52.44 2 5 0 74 397.544 7 ↓

Analogs

36159298
36159298
35744381
35744381
35744384
35744384
35744406
35744406
35744408
35744408

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2R)-2-hydroxy-3-phenyl-propyl]-methyl-amino]methylBLAHone [[(2R)-2-hydroxy-3-phenyl-propyl…

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) 2.47 8.63 -56.91 3 5 1 70 370.498 6 ↓
Hi High (pH 8-9.5) 2.93 5.88 -55.8 2 5 0 74 369.49 6 ↓
Hi High (pH 8-9.5) 2.47 6.32 -14.49 2 5 0 69 369.49 6 ↓

Analogs

35744381
35744381
35744384
35744384
35744406
35744406
35744408
35744408
35744422
35744422

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-hydroxy-3-phenyl-propyl]-methyl-amino]methylBLAHone [[(2S)-2-hydroxy-3-phenyl-propyl…

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) 2.47 8.6 -57.16 3 5 1 70 370.498 6 ↓
Hi High (pH 8-9.5) 2.93 5.9 -52.12 2 5 0 74 369.49 6 ↓
Hi High (pH 8-9.5) 2.47 6.3 -14.52 2 5 0 69 369.49 6 ↓

Parameters Provided:

ring.id = 76916
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 = 76916 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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