UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(5-methylpyrazin-2-yl)methyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(5-methylpyrazin-2-yl)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) 2.02 4.87 -28.1 2 4 1 52 263.39 3 ↓

Analogs

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Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 2.95 8.65 -25.89 2 2 1 26 293.481 2 ↓

Analogs

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Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 2.95 8.34 -26.15 2 2 1 26 293.481 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-thienyl)ethyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1S)-1-(3-thienyl)ethyl]-3-th…

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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) 3.41 7.67 -25.93 2 2 1 26 267.443 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-thienyl)ethyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1R)-1-(3-thienyl)ethyl]-3-th…

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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) 3.41 7.67 -25.8 2 2 1 26 267.443 3 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-methyl-N'-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)ethane-1,2-diamine N-(2-methoxyethyl)-N-methyl-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) 1.88 6.08 -86.21 3 4 2 40 273.446 7 ↓
Mid Mid (pH 6-8) 1.88 3.72 -26.16 2 4 1 38 272.438 7 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-8-thia-6-azaspiro[4.4]non-6-en-7-amine N-[(3R)-1,1-dioxothian-3-yl]-8-t…

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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 3.62 -38.04 2 4 1 60 289.446 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-8-thia-6-azaspiro[4.4]non-6-en-7-amine N-[(3S)-1,1-dioxothian-3-yl]-8-t…

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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 3.59 -38.38 2 4 1 60 289.446 2 ↓

Analogs

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Popular Name: N-[(1R)-1,4-dimethylpentyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1R)-1,4-dimethylpentyl]-3-th…

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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) 4.12 8.65 -24.1 2 2 1 26 255.451 5 ↓

Analogs

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Popular Name: N-[(1S)-1,4-dimethylpentyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1S)-1,4-dimethylpentyl]-3-th…

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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) 4.12 8.65 -24.05 2 2 1 26 255.451 5 ↓

Analogs

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Popular Name: N-(4-pyrrolidin-1-ylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-(4-pyrrolidin-1-ylphenyl)-3-th…

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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) 4.07 9.25 -24.28 2 3 1 29 302.467 3 ↓
Hi High (pH 8-9.5) 4.07 8.4 -5.34 1 3 0 28 301.459 3 ↓

Analogs

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Popular Name: N1,N1-diethyl-N4-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)benzene-1,4-diamine N1,N1-diethyl-N4-(3-thia-1-azasp…

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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) 4.42 9.85 -24.04 2 3 1 29 304.483 5 ↓
Hi High (pH 8-9.5) 4.42 9 -5.11 1 3 0 28 303.475 5 ↓
Mid Mid (pH 6-8) 4.42 9.97 -25.6 3 3 0 30 305.491 5 ↓

Analogs

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Popular Name: N-(3,3,3-trifluoropropyl)-8-thia-6-azaspiro[4.4]non-6-en-7-amine N-(3,3,3-trifluoropropyl)-8-thia…

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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) 3.06 6.09 -29.09 2 2 1 26 253.313 4 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1S)-2-cyclopropyl-1-methyl-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) 3.34 8.05 -23.78 2 2 1 26 239.408 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1R)-2-cyclopropyl-1-methyl-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) 3.34 8.13 -23.98 2 2 1 26 239.408 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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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) 3.87 8.15 -23.72 2 2 1 26 253.435 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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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) 3.87 8.22 -23.84 2 2 1 26 253.435 5 ↓

Analogs

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Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 4.02 9.24 -23.49 2 2 1 26 267.462 2 ↓

Analogs

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Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 4.02 8.62 -23.72 2 2 1 26 267.462 2 ↓

Analogs

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Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 4.02 8.95 -23.75 2 2 1 26 267.462 2 ↓

Analogs

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Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 4.02 8.72 -23.85 2 2 1 26 267.462 2 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1S)-1-cyclopentylethyl]-3-th…

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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) 3.98 8.4 -23.86 2 2 1 26 253.435 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-[(1R)-1-cyclopentylethyl]-3-th…

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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) 3.98 8.24 -23.93 2 2 1 26 253.435 3 ↓

Parameters Provided:

ring.id = 210380
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 210380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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