UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]indoline-5-sulfonamide 1-[(2-ethylthiazol-4-yl)methyl]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) 1.56 3.01 -14.18 2 5 0 76 323.443 4 ↓

Analogs

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Popular Name: N-methyl-1-[4-[[(2R)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(2R)-2-methylind…

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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 7.59 -40.26 2 3 1 33 274.413 4 ↓

Analogs

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Popular Name: N-methyl-1-[4-[[(2S)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(2S)-2-methylind…

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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 7.19 -40.09 2 3 1 33 274.413 4 ↓

Analogs

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Popular Name: N-[[4-[[(2S)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(2S)-2-methylindolin-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) 2.60 8.07 -39.16 2 3 1 33 288.44 5 ↓

Analogs

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Popular Name: N-[[4-[[(2R)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(2R)-2-methylindolin-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) 2.60 8.44 -39.36 2 3 1 33 288.44 5 ↓

Analogs

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Popular Name: N-[[4-[[(2S)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[(2S)-2-methylindolin-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) 3.10 8.82 -39.91 2 3 1 33 302.467 6 ↓

Analogs

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Popular Name: N-[[4-[[(2R)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[(2R)-2-methylindolin-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) 3.10 9.19 -40.16 2 3 1 33 302.467 6 ↓

Analogs

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Popular Name: N-[[4-[[(2R)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[(2R)-2-methylindolin-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) 2.89 8.97 -37.35 2 3 1 33 302.467 5 ↓

Analogs

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Popular Name: N-[[4-[[(2S)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[(2S)-2-methylindolin-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) 2.89 8.57 -37.17 2 3 1 33 302.467 5 ↓

Analogs

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Popular Name: [4-[[(2R)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2R)-2-methylindolin-1-yl]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) 1.85 5.71 -45.87 3 3 1 44 260.386 3 ↓

Analogs

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Popular Name: [4-[[(2S)-2-methylindolin-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2S)-2-methylindolin-1-yl]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) 1.85 5.32 -45.68 3 3 1 44 260.386 3 ↓

Analogs

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Popular Name: 1-[4-(indolin-1-ylmethyl)thiazol-2-yl]-N-methyl-methanamine 1-[4-(indolin-1-ylmethyl)thiazol…

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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 6.55 -38.67 2 3 1 33 260.386 4 ↓
Hi High (pH 8-9.5) 1.89 5.1 -7.7 1 3 0 28 259.378 4 ↓

Analogs

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Popular Name: N-[[4-(indolin-1-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(indolin-1-ylmethyl)thiazo…

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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) 2.27 7.41 -37.83 2 3 1 33 274.413 5 ↓
Hi High (pH 8-9.5) 2.27 6.04 -7.47 1 3 0 28 273.405 5 ↓

Analogs

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Popular Name: N-[[4-(indolin-1-ylmethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(indolin-1-ylmethyl)thiazo…

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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) 2.77 8.16 -38.45 2 3 1 33 288.44 6 ↓
Hi High (pH 8-9.5) 2.77 6.8 -7.35 1 3 0 28 287.432 6 ↓

Analogs

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Popular Name: N-[[4-(indolin-1-ylmethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(indolin-1-ylmethyl)thiazo…

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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) 2.56 7.94 -35.76 2 3 1 33 288.44 5 ↓
Hi High (pH 8-9.5) 2.56 6.73 -7.25 1 3 0 28 287.432 5 ↓

Analogs

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Popular Name: N-[[4-(indolin-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-(indolin-1-ylmethyl)thiazo…

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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) 3.08 8.37 -34.08 2 3 1 33 302.467 5 ↓
Hi High (pH 8-9.5) 3.08 7.12 -7.14 1 3 0 28 301.459 5 ↓

Analogs

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Popular Name: N-[[4-(indolin-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-(indolin-1-ylmethyl)thiazo…

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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) 3.01 8.86 -38.49 2 3 1 33 302.467 6 ↓
Hi High (pH 8-9.5) 3.01 7.49 -7.25 1 3 0 28 301.459 6 ↓

Parameters Provided:

ring.id = 2084
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 = 2084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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