UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41690162
41690162
41690165
41690165
41690168
41690168
45704181
45704181
45704185
45704185

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Popular Name: (2R)-1-(4-methylcyclohexoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (2R)-1-(4-methylcyclohexoxy)-3-(…

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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) 1.25 4.01 -35.03 2 4 1 37 271.425 5 ↓
Mid Mid (pH 6-8) 1.25 1.64 -4.64 1 4 0 36 270.417 5 ↓

Analogs

41690165
41690165
41690168
41690168
45704181
45704181
45704185
45704185
45704189
45704189

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Popular Name: (2S)-1-(4-methylcyclohexoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (2S)-1-(4-methylcyclohexoxy)-3-(…

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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) 1.25 3.96 -34.67 2 4 1 37 271.425 5 ↓
Mid Mid (pH 6-8) 1.25 1.58 -4.49 1 4 0 36 270.417 5 ↓

Analogs

41690168
41690168
45704181
45704181
45704185
45704185
45704189
45704189
45704193
45704193

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Popular Name: (2S)-1-(4-ethylpiperazin-1-yl)-3-(4-methylcyclohexoxy)propan-2-ol (2S)-1-(4-ethylpiperazin-1-yl)-3…

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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) 1.63 4.64 -33.43 2 4 1 37 285.452 6 ↓
Mid Mid (pH 6-8) 1.63 2.36 -4.35 1 4 0 36 284.444 6 ↓

Analogs

19363956
19363956

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Popular Name: (2R)-1-(4-ethylpiperazin-1-yl)-3-(4-methylcyclohexoxy)propan-2-ol (2R)-1-(4-ethylpiperazin-1-yl)-3…

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) 1.63 4.66 -33.84 2 4 1 37 285.452 6 ↓
Mid Mid (pH 6-8) 1.63 2.38 -4.57 1 4 0 36 284.444 6 ↓

Parameters Provided:

ring.id = 569829
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 = 569829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=569829&filter.purchasability=annotated

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