UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[[(1R)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]-(3-hydroxypropyl)amino]methyl]-8-methyl-1H- 3-[[[(1R)-1-[1-(1,1-dimethylprop…

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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) 2.57 7.03 -42.66 3 8 1 101 427.573 10 ↓
Hi High (pH 8-9.5) 2.57 5.16 -18.56 2 8 0 100 426.565 10 ↓

Analogs

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Popular Name: 3-[[[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]-(3-hydroxypropyl)amino]methyl]-8-methyl-1H- 3-[[[(1S)-1-[1-(1,1-dimethylprop…

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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) 2.57 6.53 -34.38 3 8 1 101 427.573 10 ↓
Hi High (pH 8-9.5) 2.57 3.79 -12.49 2 8 0 100 426.565 10 ↓

Analogs

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Popular Name: 3-[[[(1R)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl 3-[[[(1R)-1-[1-(1,1-dimethylprop…

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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) 2.97 7.66 -46.36 3 8 1 101 441.6 10 ↓
Hi High (pH 8-9.5) 2.97 5.59 -17.15 2 8 0 100 440.592 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]propyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl 3-[[[(1S)-1-[1-(1,1-dimethylprop…

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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) 2.97 7.18 -34.2 3 8 1 101 441.6 10 ↓
Hi High (pH 8-9.5) 2.97 4.43 -12.16 2 8 0 100 440.592 10 ↓

Analogs

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Popular Name: 3-[[[(1R)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-2-methyl-propyl]-(3-hydroxypropyl)amino]methyl]-6- 3-[[[(1R)-1-[1-(1,1-dimethylprop…

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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) 2.83 6.51 -51.55 3 8 1 101 441.6 10 ↓
Hi High (pH 8-9.5) 2.83 4.37 -17.73 2 8 0 100 440.592 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-2-methyl-propyl]-(3-hydroxypropyl)amino]methyl]-6- 3-[[[(1S)-1-[1-(1,1-dimethylprop…

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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) 2.83 7.48 -37.96 3 8 1 101 441.6 10 ↓
Hi High (pH 8-9.5) 2.83 5.76 -16.44 2 8 0 100 440.592 10 ↓

Analogs

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Popular Name: 3-[[[(1R)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]butyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl- 3-[[[(1R)-1-[1-(1,1-dimethylprop…

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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) 3.53 6.37 -16.77 2 8 0 100 454.619 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1S)-1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]butyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl- 3-[[[(1S)-1-[1-(1,1-dimethylprop…

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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) 3.53 6.04 -12.59 2 8 0 100 454.619 11 ↓

Parameters Provided:

ring.id = 23353
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 = 23353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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