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

Analogs

36159503
36159503
36159698
36159698
36159702
36159702
36159886
36159886
36159891
36159891

Draw Identity 99% 90% 80% 70%

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

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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) 2.62 8.43 -55.75 3 7 1 93 432.566 10 ↓
Hi High (pH 8-9.5) 3.08 5.36 -53.46 2 7 0 96 431.558 10 ↓
Hi High (pH 8-9.5) 2.62 6.43 -17.63 2 7 0 92 431.558 10 ↓

Analogs

36159698
36159698
36159702
36159702
36159886
36159886
36159891
36159891
36159957
36159957

Draw Identity 99% 90% 80% 70%

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

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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) 2.62 8.27 -57.08 3 7 1 93 432.566 10 ↓
Hi High (pH 8-9.5) 3.08 5.41 -55.45 2 7 0 96 431.558 10 ↓
Hi High (pH 8-9.5) 2.62 7.11 -19.29 2 7 0 92 431.558 10 ↓

Analogs

36159702
36159702
36159886
36159886
36159891
36159891
36159957
36159957
36159962
36159962

Draw Identity 99% 90% 80% 70%

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

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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) 1.88 6.57 -58.63 3 7 1 93 404.512 9 ↓
Hi High (pH 8-9.5) 2.34 3.95 -54.07 2 7 0 96 403.504 9 ↓

Analogs

36159886
36159886
36159891
36159891
36159957
36159957
36159962
36159962
36159500
36159500

Draw Identity 99% 90% 80% 70%

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

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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) 1.88 6.73 -55.5 3 7 1 93 404.512 9 ↓
Hi High (pH 8-9.5) 2.34 4.08 -47.07 2 7 0 96 403.504 9 ↓

Analogs

36159891
36159891
36159957
36159957
36159962
36159962
36159500
36159500
36159503
36159503

Draw Identity 99% 90% 80% 70%

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

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) 2.38 7.3 -59.67 3 7 1 93 418.539 10 ↓
Hi High (pH 8-9.5) 2.84 4.7 -55.22 2 7 0 96 417.531 10 ↓

Analogs

36159957
36159957
36159962
36159962
36159500
36159500
36159503
36159503
36159698
36159698

Draw Identity 99% 90% 80% 70%

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

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) 2.38 7.46 -56.24 3 7 1 93 418.539 10 ↓
Hi High (pH 8-9.5) 2.84 4.83 -46.59 2 7 0 96 417.531 10 ↓

Analogs

36159962
36159962
36159500
36159500
36159503
36159503
36159698
36159698
36159702
36159702

Draw Identity 99% 90% 80% 70%

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

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) 3.16 8.59 -60.67 3 7 1 93 446.593 11 ↓
Hi High (pH 8-9.5) 3.61 5.97 -55.32 2 7 0 96 445.585 11 ↓

Analogs

36159500
36159500
36159503
36159503
36159698
36159698
36159702
36159702
36159886
36159886

Draw Identity 99% 90% 80% 70%

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

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) 3.16 8.76 -57.56 3 7 1 93 446.593 11 ↓
Hi High (pH 8-9.5) 3.61 6.11 -46.77 2 7 0 96 445.585 11 ↓

Analogs

36160043
36160043

Draw Identity 99% 90% 80% 70%

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

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) 2.15 7.11 -57.64 3 7 1 93 416.523 10 ↓
Hi High (pH 8-9.5) 2.60 4.53 -52.14 2 7 0 96 415.515 10 ↓

Analogs

36160037
36160037

Draw Identity 99% 90% 80% 70%

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

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) 2.15 7.29 -56.26 3 7 1 93 416.523 10 ↓
Hi High (pH 8-9.5) 2.60 4.62 -46.55 2 7 0 96 415.515 10 ↓

Parameters Provided:

ring.id = 77329
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 = 77329 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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