UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14241889
14241889
66325648
66325648
66325652
66325652
12783115
12783115
12783120
12783120

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Popular Name: 1-[(1S)-1-(4-ethylpiperazine-1-carbonyl)-2-methyl-propyl]-3-phenyl-urea 1-[(1S)-1-(4-ethylpiperazine-1-c…

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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) 2.17 4.3 -9.36 2 6 0 65 332.448 5 ↓

Analogs

66325648
66325648
66325652
66325652
14241888
14241888
12783115
12783115
12783120
12783120

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(4-ethylpiperazine-1-carbonyl)-2-methyl-propyl]-3-phenyl-urea 1-[(1R)-1-(4-ethylpiperazine-1-c…

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) 2.17 4.34 -9.57 2 6 0 65 332.448 5 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-isobutylpiperazine-1-carbonyl)-2-methyl-propyl]-3-phenyl-urea 1-[(1R)-1-(4-isobutylpiperazine-…

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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) 2.92 8.53 -44.86 3 6 1 66 361.51 6 ↓
Mid Mid (pH 6-8) 2.92 6.08 -7.88 2 6 0 65 360.502 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(4-isobutylpiperazine-1-carbonyl)-2-methyl-propyl]-3-phenyl-urea 1-[(1S)-1-(4-isobutylpiperazine-…

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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) 2.92 8.16 -44.83 3 6 1 66 361.51 6 ↓
Mid Mid (pH 6-8) 2.92 5.92 -7.79 2 6 0 65 360.502 6 ↓

Analogs

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Popular Name: 1-[(1S)-2-(4-isopentylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-phenyl-urea 1-[(1S)-2-(4-isopentylpiperazin-…

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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) 2.67 7.6 -47.32 3 6 1 66 347.483 6 ↓
Mid Mid (pH 6-8) 2.67 5.39 -9.15 2 6 0 65 346.475 6 ↓

Parameters Provided:

ring.id = 39634
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 = 39634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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