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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopentyl-N-cyclopropyl-N-methyl-propane-1,3-diamine N'-cyclopentyl-N-cyclopropyl-N-m…

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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) 2.16 7.62 -98.92 3 2 2 21 198.354 6 ↓
Mid Mid (pH 6-8) 2.16 5.31 -36.52 2 2 1 20 197.346 6 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-cyclopropyl-N-ethyl-propane-1,3-diamine N'-cyclopentyl-N-cyclopropyl-N-e…

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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) 2.54 8.27 -97.38 3 2 2 21 212.381 7 ↓
Mid Mid (pH 6-8) 2.54 6.19 -36.09 2 2 1 20 211.373 7 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-cyclopropyl-N-propyl-propane-1,3-diamine N'-cyclopentyl-N-cyclopropyl-N-p…

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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) 3.04 9.02 -99.04 3 2 2 21 226.408 8 ↓
Mid Mid (pH 6-8) 3.04 6.94 -36.18 2 2 1 20 225.4 8 ↓

Analogs

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Popular Name: N-cyclopentyl-N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine N-cyclopentyl-N'-cyclopropyl-N'-…

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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) 3.09 6.59 -38.3 2 2 1 20 265.343 8 ↓

Analogs

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Popular Name: N-butyl-N'-cyclopentyl-N-cyclopropyl-propane-1,3-diamine N-butyl-N'-cyclopentyl-N-cyclopr…

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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) 3.60 9.8 -100.02 3 2 2 21 240.435 9 ↓
Mid Mid (pH 6-8) 3.60 7.72 -36.17 2 2 1 20 239.427 9 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-cyclopropyl-N-isobutyl-propane-1,3-diamine N'-cyclopentyl-N-cyclopropyl-N-i…

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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) 3.29 9.73 -99.5 3 2 2 21 240.435 8 ↓
Mid Mid (pH 6-8) 3.29 7.84 -36.18 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-cyclopropyl-N-(2-methoxyethyl)propane-1,3-diamine N'-cyclopentyl-N-cyclopropyl-N-(…

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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) 2.15 5.27 -37.7 2 3 1 29 241.399 9 ↓
Mid Mid (pH 6-8) 2.15 7.42 -97.95 3 3 2 30 242.407 9 ↓

Analogs

48366628
48366628
48366630
48366630
19387475
19387475
4744156
4744156
4744157
4744157

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[cyclopentyl(methyl)amino]-3-(cyclopropylamino)propan-2-ol (2R)-1-[cyclopentyl(methyl)amino…

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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 4.48 -98.51 4 3 2 41 214.353 6 ↓
Hi High (pH 8-9.5) 1.25 5.02 -38.45 3 3 1 44 213.345 6 ↓

Analogs

48366628
48366628
48366630
48366630
19387475
19387475
4744156
4744156
4744157
4744157

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[cyclopentyl(methyl)amino]-3-(cyclopropylamino)propan-2-ol (2S)-1-[cyclopentyl(methyl)amino…

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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 4.47 -98.62 4 3 2 41 214.353 6 ↓
Hi High (pH 8-9.5) 1.25 5.01 -38.88 3 3 1 44 213.345 6 ↓

Analogs

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Popular Name: (2S)-N-cyclopentyl-N'-cyclopropyl-N,2-dimethyl-propane-1,3-diamine (2S)-N-cyclopentyl-N'-cyclopropy…

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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) 2.64 8.32 -96.5 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.64 6.32 -34.09 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: (2R)-N-cyclopentyl-N'-cyclopropyl-N,2-dimethyl-propane-1,3-diamine (2R)-N-cyclopentyl-N'-cyclopropy…

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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) 2.64 8.32 -96.33 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.64 6.31 -34.12 2 2 1 20 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N3-cyclopentyl-N1-cyclopropyl-N3-methyl-butane-1,3-diamine (3S)-N3-cyclopentyl-N1-cycloprop…

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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) 2.49 7.92 -100.83 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.49 6.62 -29.81 2 2 1 16 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-cyclopentyl-N1-cyclopropyl-N3-methyl-butane-1,3-diamine (3R)-N3-cyclopentyl-N1-cycloprop…

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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) 2.49 7.54 -99.73 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.49 6.25 -31.03 2 2 1 16 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methyl-propane-1,3-diamine (2S)-N-cyclopentyl-N'-cyclopropy…

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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) 3.02 8.7 -95.38 3 2 2 21 226.408 7 ↓
Mid Mid (pH 6-8) 3.02 7.07 -34.76 2 2 1 20 225.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methyl-propane-1,3-diamine (2R)-N-cyclopentyl-N'-cyclopropy…

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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) 3.02 8.73 -95.06 3 2 2 21 226.408 7 ↓
Mid Mid (pH 6-8) 3.02 6.88 -34.42 2 2 1 20 225.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N3-cyclopentyl-N1-cyclopropyl-N3-ethyl-butane-1,3-diamine (3S)-N3-cyclopentyl-N1-cycloprop…

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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) 2.87 8.32 -100.07 3 2 2 21 226.408 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-cyclopentyl-N1-cyclopropyl-N3-ethyl-butane-1,3-diamine (3R)-N3-cyclopentyl-N1-cycloprop…

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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) 2.87 7.96 -99.65 3 2 2 21 226.408 7 ↓

Parameters Provided:

ring.id = 68934
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 = 68934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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