UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N'-(3-furylmethyl)-N-methyl-ethane-1,2-diamine N-[(1S)-1-cyclopropylethyl]-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) 1.67 5.68 -33.83 2 3 1 30 223.34 7 ↓
Hi High (pH 8-9.5) 1.67 3.27 -2.82 1 3 0 28 222.332 7 ↓
Mid Mid (pH 6-8) 1.67 7.04 -114.34 3 3 2 34 224.348 7 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-N'-(3-furylmethyl)-N-methyl-ethane-1,2-diamine N-[(1R)-1-cyclopropylethyl]-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) 1.67 5.81 -33.67 2 3 1 30 223.34 7 ↓
Hi High (pH 8-9.5) 1.67 3.51 -2.73 1 3 0 28 222.332 7 ↓
Mid Mid (pH 6-8) 1.67 7.16 -114.1 3 3 2 34 224.348 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N'-(3-furylmethyl)-N-methyl-ethane-1,2-diamine N-(cyclopropylmethyl)-N'-(3-fury…

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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) 1.34 5.39 -35.35 2 3 1 30 209.313 7 ↓
Hi High (pH 8-9.5) 1.34 3.06 -2.86 1 3 0 28 208.305 7 ↓
Mid Mid (pH 6-8) 1.34 6.76 -115.5 3 3 2 34 210.321 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N'-(3-furylmethyl)-N-propyl-ethane-1,2-diamine N-(cyclopropylmethyl)-N'-(3-fury…

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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) 2.22 6.8 -34.62 2 3 1 30 237.367 9 ↓
Mid Mid (pH 6-8) 2.22 5.77 -39.96 2 3 1 33 237.367 9 ↓
Mid Mid (pH 6-8) 2.22 8.16 -117.69 3 3 2 34 238.375 9 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N'-(3-furylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine N-[(1S)-1-cyclopropylethyl]-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) 1.66 5.05 -32.32 2 4 1 39 267.393 10 ↓
Hi High (pH 8-9.5) 1.66 3.61 -3.69 1 4 0 38 266.385 10 ↓
Mid Mid (pH 6-8) 1.66 6.4 -110.16 3 4 2 43 268.401 10 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-N'-(3-furylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine N-[(1R)-1-cyclopropylethyl]-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) 1.66 5.25 -31.48 2 4 1 39 267.393 10 ↓
Hi High (pH 8-9.5) 1.66 3.42 -4.18 1 4 0 38 266.385 10 ↓
Mid Mid (pH 6-8) 1.66 6.6 -111.52 3 4 2 43 268.401 10 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N'-(3-furylmethyl)-N'-methyl-ethane-1,2-diamine N-[(1S)-1-cyclopropylethyl]-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) 1.67 4.71 -38.25 2 3 1 33 223.34 7 ↓
Hi High (pH 8-9.5) 1.67 3.53 -3.14 1 3 0 28 222.332 7 ↓
Lo Low (pH 4.5-6) 1.67 7.03 -114.71 3 3 2 34 224.348 7 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-N'-(3-furylmethyl)-N'-methyl-ethane-1,2-diamine N-[(1R)-1-cyclopropylethyl]-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) 1.67 4.75 -38.03 2 3 1 33 223.34 7 ↓
Hi High (pH 8-9.5) 1.67 3.6 -3 1 3 0 28 222.332 7 ↓
Lo Low (pH 4.5-6) 1.67 7.09 -114.51 3 3 2 34 224.348 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N'-(3-furylmethyl)-N-isopropyl-ethane-1,2-diamine N-(cyclopropylmethyl)-N'-(3-fury…

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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) 2.02 6.27 -32.92 2 3 1 30 237.367 8 ↓
Hi High (pH 8-9.5) 2.02 4.32 -2.6 1 3 0 28 236.359 8 ↓
Mid Mid (pH 6-8) 2.02 7.62 -115.03 3 3 2 34 238.375 8 ↓

Analogs

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Popular Name: N'-[(1S)-1-cyclopropylethyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]ethane-1,2-diamine N'-[(1S)-1-cyclopropylethyl]-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) 1.89 5.59 -39.84 2 3 1 33 237.367 7 ↓
Hi High (pH 8-9.5) 1.89 4.42 -3.15 1 3 0 28 236.359 7 ↓
Lo Low (pH 4.5-6) 1.89 7.88 -117.17 3 3 2 34 238.375 7 ↓

Analogs

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Popular Name: N'-[(1R)-1-cyclopropylethyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]ethane-1,2-diamine N'-[(1R)-1-cyclopropylethyl]-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) 1.89 5.59 -39.16 2 3 1 33 237.367 7 ↓
Hi High (pH 8-9.5) 1.89 4.4 -2.97 1 3 0 28 236.359 7 ↓
Lo Low (pH 4.5-6) 1.89 7.94 -116.56 3 3 2 34 238.375 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-N'-(3-furylmethyl)ethane-1,2-diamine N-(cyclopropylmethyl)-N-ethyl-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) 1.72 6.07 -34.06 2 3 1 30 223.34 8 ↓
Hi High (pH 8-9.5) 1.72 3.67 -2.67 1 3 0 28 222.332 8 ↓
Mid Mid (pH 6-8) 1.72 5.04 -39.65 2 3 1 33 223.34 8 ↓

Analogs

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Popular Name: N'-(cyclopropylmethyl)-N-(3-furylmethyl)-N-methyl-ethane-1,2-diamine N'-(cyclopropylmethyl)-N-(3-fury…

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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) 0.99 4.4 -39.79 2 3 1 33 209.313 7 ↓
Lo Low (pH 4.5-6) 0.99 6.72 -115.72 3 3 2 34 210.321 7 ↓

Analogs

52346447
52346447
52346448
52346448
52346474
52346474
52346475
52346475
52346480
52346480

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Popular Name: N'-(cyclopropylmethyl)-N-methyl-N-[(2-methyl-3-furyl)methyl]ethane-1,2-diamine N'-(cyclopropylmethyl)-N-methyl-…

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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) 1.21 5.19 -41.2 2 3 1 33 223.34 7 ↓
Lo Low (pH 4.5-6) 1.21 7.53 -118.08 3 3 2 34 224.348 7 ↓

Parameters Provided:

ring.id = 55051
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 = 55051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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