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

Analogs

36159513
36159513

Draw Identity 99% 90% 80% 70%

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

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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) 3.87 10.35 -55.67 3 6 1 80 442.605 9 ↓
Hi High (pH 8-9.5) 4.33 7.34 -51.58 2 6 0 83 441.597 9 ↓
Hi High (pH 8-9.5) 3.87 8.99 -16.86 2 6 0 78 441.597 9 ↓

Analogs

36159508
36159508

Draw Identity 99% 90% 80% 70%

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

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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) 3.87 10.62 -55.3 3 6 1 80 442.605 9 ↓
Hi High (pH 8-9.5) 4.33 7.6 -52.02 2 6 0 83 441.597 9 ↓
Hi High (pH 8-9.5) 3.87 8.06 -17 2 6 0 78 441.597 9 ↓

Analogs

36159667
36159667

Draw Identity 99% 90% 80% 70%

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

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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) 3.02 8.26 -56.67 3 6 1 80 414.551 8 ↓
Hi High (pH 8-9.5) 3.48 5.7 -53.94 2 6 0 83 413.543 8 ↓

Analogs

36159664
36159664

Draw Identity 99% 90% 80% 70%

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

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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) 3.02 8.61 -56.23 3 6 1 80 414.551 8 ↓
Hi High (pH 8-9.5) 3.48 6.14 -53.78 2 6 0 83 413.543 8 ↓

Analogs

36159674
36159674

Draw Identity 99% 90% 80% 70%

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

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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) 3.42 9.01 -56.13 3 6 1 80 428.578 8 ↓
Hi High (pH 8-9.5) 3.88 6.23 -52.67 2 6 0 83 427.57 8 ↓
Hi High (pH 8-9.5) 3.42 7.13 -17.12 2 6 0 78 427.57 8 ↓

Analogs

36159671
36159671

Draw Identity 99% 90% 80% 70%

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

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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) 3.42 9.38 -56.95 3 6 1 80 428.578 8 ↓
Hi High (pH 8-9.5) 3.88 6.58 -53.36 2 6 0 83 427.57 8 ↓
Hi High (pH 8-9.5) 3.42 7.41 -16.93 2 6 0 78 427.57 8 ↓

Analogs

36159711
36159711
36159969
36159969
36159975
36159975

Draw Identity 99% 90% 80% 70%

Popular Name: [ethyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methylBLAHone [ethyl-[(2S)-2-hydroxy-3-(2-meth…

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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) 3.12 9.14 -58 3 6 1 80 414.551 8 ↓
Hi High (pH 8-9.5) 3.58 6.35 -52.3 2 6 0 83 413.543 8 ↓

Analogs

36159969
36159969
36159975
36159975
36159706
36159706

Draw Identity 99% 90% 80% 70%

Popular Name: [ethyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methylBLAHone [ethyl-[(2R)-2-hydroxy-3-(2-meth…

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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) 3.12 8.91 -55.21 3 6 1 80 414.551 8 ↓
Hi High (pH 8-9.5) 3.58 6.25 -46.45 2 6 0 83 413.543 8 ↓

Analogs

36159882
36159882
36159947
36159947
36159951
36159951

Draw Identity 99% 90% 80% 70%

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

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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) 3.23 8.73 -59.38 3 6 1 80 414.551 9 ↓
Hi High (pH 8-9.5) 3.68 6.12 -53.81 2 6 0 83 413.543 9 ↓

Analogs

36159947
36159947
36159951
36159951
36159876
36159876

Draw Identity 99% 90% 80% 70%

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

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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) 3.23 9.03 -57.34 3 6 1 80 414.551 9 ↓
Hi High (pH 8-9.5) 3.68 6.46 -52.93 2 6 0 83 413.543 9 ↓

Analogs

36159951
36159951
36159876
36159876
36159882
36159882

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-hydroxy-3-phenoxy-propyl]-isopentyl-amino]methylBLAHone [[(2S)-2-hydroxy-3-phenoxy-propy…

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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) 4.00 10.02 -60.5 3 6 1 80 442.605 10 ↓
Hi High (pH 8-9.5) 4.46 7.43 -54.15 2 6 0 83 441.597 10 ↓

Analogs

36159876
36159876
36159882
36159882
36159947
36159947

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2R)-2-hydroxy-3-phenoxy-propyl]-isopentyl-amino]methylBLAHone [[(2R)-2-hydroxy-3-phenoxy-propy…

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) 4.00 10.31 -58.5 3 6 1 80 442.605 10 ↓
Hi High (pH 8-9.5) 4.46 7.74 -53.67 2 6 0 83 441.597 10 ↓

Analogs

36159975
36159975
36159706
36159706
36159711
36159711

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-isopentyl-amino]methylBLAHone [[(2R)-2-hydroxy-3-(2-methylphen…

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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) 4.40 10.93 -57.68 3 6 1 80 456.632 10 ↓
Hi High (pH 8-9.5) 4.86 8.25 -46.17 2 6 0 83 455.624 10 ↓

Analogs

36159706
36159706
36159711
36159711
36159969
36159969

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-isopentyl-amino]methylBLAHone [[(2S)-2-hydroxy-3-(2-methylphen…

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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) 4.40 11.19 -60.26 3 6 1 80 456.632 10 ↓
Hi High (pH 8-9.5) 4.86 8.45 -52.6 2 6 0 83 455.624 10 ↓

Analogs

36160033
36160033

Draw Identity 99% 90% 80% 70%

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

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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) 2.99 8.53 -57.29 3 6 1 80 412.535 9 ↓
Hi High (pH 8-9.5) 3.45 5.95 -50.76 2 6 0 83 411.527 9 ↓

Analogs

36160029
36160029

Draw Identity 99% 90% 80% 70%

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

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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) 2.99 8.83 -57.34 3 6 1 80 412.535 9 ↓
Hi High (pH 8-9.5) 3.45 6.27 -52.84 2 6 0 83 411.527 9 ↓

Parameters Provided:

ring.id = 77335
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 = 77335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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