UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: cyclopropyl-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanimine cyclopropyl-[4-[(1R)-1-methylpro…

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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) 1.99 7.13 -89.61 3 3 2 33 211.353 4 ↓
Mid Mid (pH 6-8) 1.99 5.42 -26.7 2 3 1 32 210.345 4 ↓

Analogs

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Popular Name: cyclopropyl-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanimine cyclopropyl-[4-[(1S)-1-methylpro…

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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) 1.99 7.15 -89.52 3 3 2 33 211.353 4 ↓
Mid Mid (pH 6-8) 1.99 5.29 -26.63 2 3 1 32 210.345 4 ↓

Analogs

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Popular Name: cyclopropyl-(4-isobutylpiperazin-1-yl)methanimine cyclopropyl-(4-isobutylpiperazin…

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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) 1.90 7.52 -91.94 3 3 2 33 211.353 4 ↓
Mid Mid (pH 6-8) 1.90 5.57 -26.82 2 3 1 32 210.345 4 ↓

Analogs

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Popular Name: 2-[4-(cyclopropanecarboximidoyl)piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-(cyclopropanecarboximidoyl)…

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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) 0.81 5.13 -76.23 3 4 2 37 226.368 5 ↓
Hi High (pH 8-9.5) 0.81 2.65 -27.79 2 4 1 35 225.36 5 ↓

Analogs

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Popular Name: cyclopropyl-(4-propylpiperazin-1-yl)methanimine cyclopropyl-(4-propylpiperazin-1…

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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) 1.66 6.81 -91.27 3 3 2 33 197.326 4 ↓
Mid Mid (pH 6-8) 1.66 4.6 -26.85 2 3 1 32 196.318 4 ↓

Analogs

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Popular Name: cyclopropyl-(4-ethylpiperazin-1-yl)methanimine cyclopropyl-(4-ethylpiperazin-1-…

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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) 1.16 3.85 -26.8 2 3 1 32 182.291 3 ↓
Mid Mid (pH 6-8) 1.16 6.07 -89.52 3 3 2 33 183.299 3 ↓

Analogs

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Popular Name: cyclopropyl-(4-methylpiperazin-1-yl)methanimine cyclopropyl-(4-methylpiperazin-1…

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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) 0.78 3.06 -26.89 2 3 1 32 168.264 2 ↓
Mid Mid (pH 6-8) 0.78 5.41 -89.7 3 3 2 33 169.272 2 ↓

Analogs

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Popular Name: 2-[4-(cyclopropanecarboximidoyl)piperazin-1-yl]ethanol 2-[4-(cyclopropanecarboximidoyl)…

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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) 0.15 0.5 -28.72 3 4 1 52 198.29 4 ↓
Lo Low (pH 4.5-6) 0.15 2.81 -89.62 4 4 2 53 199.298 4 ↓

Analogs

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Popular Name: cyclopropyl-(4-isopropylpiperazin-1-yl)methanimine cyclopropyl-(4-isopropylpiperazi…

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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) 1.46 4.42 -26.79 2 3 1 32 196.318 3 ↓
Mid Mid (pH 6-8) 1.46 6.57 -89.01 3 3 2 33 197.326 3 ↓

Analogs

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Popular Name: (4-tert-butylpiperazin-1-yl)-cyclopropyl-methanimine (4-tert-butylpiperazin-1-yl)-cyc…

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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) 1.97 4.71 -26.68 2 3 1 32 210.345 3 ↓
Mid Mid (pH 6-8) 1.97 6.77 -88.4 3 3 2 33 211.353 3 ↓

Analogs

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Popular Name: cyclopropyl-(4-methylsulfonylpiperazin-1-yl)methanimine cyclopropyl-(4-methylsulfonylpip…

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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) 0.16 2.03 -40.25 2 5 1 66 232.329 3 ↓

Analogs

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Popular Name: cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine cyclopropyl-[4-(2,2,2-trifluoroe…

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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) 1.71 4.35 -30.45 2 3 1 32 236.261 4 ↓

Parameters Provided:

ring.id = 328176
filter.purchasability = annotated
page.format = targets
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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 = 328176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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