UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43902810
43902810
43902814
43902814
43903434
43903434
43903438
43903438
43903914
43903914

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Popular Name: N-(3-pyrrolidin-1-ylpropyl)cyclopentanamine N-(3-pyrrolidin-1-ylpropyl)cyclo…

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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) 2.20 7.33 -102.72 3 2 2 21 198.354 5 ↓
Mid Mid (pH 6-8) 2.20 4.81 -38.09 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-ethylpyrrolidin-1-yl]propyl]cyclopentanamine N-[3-[(2R)-2-ethylpyrrolidin-1-y…

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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) 3.07 8.81 -99.71 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 3.07 6.9 -36.49 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-ethylpyrrolidin-1-yl]propyl]cyclopentanamine N-[3-[(2S)-2-ethylpyrrolidin-1-y…

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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) 3.07 8.31 -101.24 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 3.07 6 -36.34 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]cyclopentanamine N-[3-[(2R)-2-methylpyrrolidin-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) 2.53 8.04 -99.23 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.53 5.8 -36 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]cyclopentanamine N-[3-[(2S)-2-methylpyrrolidin-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) 2.53 7.69 -99.52 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.53 5.4 -36.02 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-[3-[(3R)-3-methylpyrrolidin-1-yl]propyl]cyclopentanamine N-[3-[(3R)-3-methylpyrrolidin-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) 2.68 7.93 -101.5 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.68 5.57 -36.07 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-[3-[(3S)-3-methylpyrrolidin-1-yl]propyl]cyclopentanamine N-[3-[(3S)-3-methylpyrrolidin-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) 2.68 7.98 -101.43 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.68 5.62 -35.91 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]cyclopentanamine N-[(2S)-2-methyl-3-pyrrolidin-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) 2.68 8.12 -98.05 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.68 5.94 -35.89 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]cyclopentanamine N-[(2R)-2-methyl-3-pyrrolidin-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) 2.68 8.12 -102.49 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.68 6.02 -33.52 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: (3R)-1-[3-(cyclopentylamino)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[3-(cyclopentylamino)prop…

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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) 1.95 6.02 -82.14 3 3 2 24 241.423 6 ↓
Hi High (pH 8-9.5) 1.95 3.61 -37.35 2 3 1 23 240.415 6 ↓
Lo Low (pH 4.5-6) 1.95 8.48 -187.32 4 3 3 25 242.431 6 ↓

Analogs

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Popular Name: (3S)-1-[3-(cyclopentylamino)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(cyclopentylamino)prop…

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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) 1.95 6.07 -82.51 3 3 2 24 241.423 6 ↓
Hi High (pH 8-9.5) 1.95 3.67 -36.94 2 3 1 23 240.415 6 ↓
Lo Low (pH 4.5-6) 1.95 8.53 -186.21 4 3 3 25 242.431 6 ↓

Analogs

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Popular Name: (3R)-1-[3-(cyclopentylamino)propyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[3-(cyclopentylamino)prop…

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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) 2.70 7.06 -81.06 3 3 2 24 269.477 8 ↓
Hi High (pH 8-9.5) 2.70 4.94 -36.77 2 3 1 23 268.469 8 ↓
Lo Low (pH 4.5-6) 2.70 9.51 -189.57 4 3 3 25 270.485 8 ↓

Analogs

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Popular Name: (3S)-1-[3-(cyclopentylamino)propyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[3-(cyclopentylamino)prop…

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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) 2.70 7.16 -81.27 3 3 2 24 269.477 8 ↓
Hi High (pH 8-9.5) 2.70 5 -36.77 2 3 1 23 268.469 8 ↓
Lo Low (pH 4.5-6) 2.70 9.48 -188.43 4 3 3 25 270.485 8 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine N-cyclopentyl-N-(3-pyrrolidin-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) 1.52 5.63 -88.75 4 3 2 35 255.45 8 ↓
Mid Mid (pH 6-8) 1.52 7.47 -180.67 5 3 3 37 256.458 8 ↓

Analogs

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Popular Name: 1-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentanamine 1-methyl-N-(3-pyrrolidin-1-ylpro…

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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) 2.65 7.75 -98.86 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.65 5.3 -34.27 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(3-pyrrolidin-1-ylpropyl)amino]acetic 2-[cyclopentyl(3-pyrrolidin-1-yl…

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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 9.63 -79.88 2 4 1 49 255.382 7 ↓
Mid Mid (pH 6-8) 0.78 7.19 -31.2 1 4 0 48 254.374 7 ↓

Analogs

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Popular Name: N-cyclopentyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine N-cyclopentyl-N-(3-pyrrolidin-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) 1.25 4.87 -97.44 4 3 2 35 241.423 7 ↓
Hi High (pH 8-9.5) 1.25 6.53 -97.81 4 3 2 35 241.423 7 ↓

Parameters Provided:

ring.id = 25599
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 = 25599 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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