UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[3-(6,7-dihydro-4H-thieno[3,2-…

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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) 1.75 5.45 -41.67 2 3 1 33 263.386 4 ↓
Lo Low (pH 4.5-6) 1.75 7.65 -112.95 3 3 2 34 264.394 4 ↓

Analogs

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Popular Name: N-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-furyl]methyl]ethanamine N-[[3-(6,7-dihydro-4H-thieno[3,2…

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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) 2.13 6.31 -40.5 2 3 1 33 277.413 5 ↓
Lo Low (pH 4.5-6) 2.13 8.51 -113.32 3 3 2 34 278.421 5 ↓

Analogs

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Popular Name: N-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[3-(6,7-dihydro-4H-thieno[3,2…

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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) 2.63 7.06 -41.3 2 3 1 33 291.44 6 ↓
Lo Low (pH 4.5-6) 2.63 9.26 -115.28 3 3 2 34 292.448 6 ↓

Analogs

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Popular Name: N-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[3-(6,7-dihydro-4H-thieno[3,2…

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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) 2.42 6.83 -39.02 2 3 1 33 291.44 5 ↓
Lo Low (pH 4.5-6) 2.42 9.03 -112.95 3 3 2 34 292.448 5 ↓

Analogs

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Popular Name: [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-furyl]methanamine [3-(6,7-dihydro-4H-thieno[3,2-c]…

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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) 1.38 3.57 -47.37 3 3 1 44 249.359 3 ↓
Mid Mid (pH 6-8) 1.38 5.77 -118.85 4 3 2 45 250.367 3 ↓

Analogs

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Popular Name: [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methyl-2-furyl]methanamine [4-(6,7-dihydro-4H-thieno[3,2-c]…

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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) 1.60 4.43 -46 3 3 1 44 263.386 3 ↓
Mid Mid (pH 6-8) 1.60 6.61 -101.86 4 3 2 45 264.394 3 ↓

Analogs

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Popular Name: 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-(6,7-dihydro-4H-thieno[3,2-…

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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) 1.97 6.3 -40.49 2 3 1 33 277.413 4 ↓
Mid Mid (pH 6-8) 1.97 8.48 -97.04 3 3 2 34 278.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methyl-2-furyl]methyl]ethanamine N-[[4-(6,7-dihydro-4H-thieno[3,2…

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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) 2.35 7.15 -39.67 2 3 1 33 291.44 5 ↓
Mid Mid (pH 6-8) 2.35 9.34 -96.91 3 3 2 34 292.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-(6,7-dihydro-4H-thieno[3,2…

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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) 2.85 7.9 -40.5 2 3 1 33 305.467 6 ↓
Mid Mid (pH 6-8) 2.85 10.09 -98.39 3 3 2 34 306.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-(6,7-dihydro-4H-thieno[3,2…

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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 7.67 -38.19 2 3 1 33 305.467 5 ↓
Mid Mid (pH 6-8) 2.65 9.85 -96.28 3 3 2 34 306.475 5 ↓

Analogs

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Popular Name: N-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-(6,7-dihydro-4H-thieno[3,2…

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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 7.75 -41.34 2 3 1 33 305.467 6 ↓
Lo Low (pH 4.5-6) 2.87 9.95 -115.83 3 3 2 34 306.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-(6,7-dihydro-4H-thieno[3,2…

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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) 2.94 7.26 -37.09 2 3 1 33 305.467 5 ↓
Lo Low (pH 4.5-6) 2.94 9.46 -110.43 3 3 2 34 306.475 5 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methanamine N-methyl-1-[3-[[(4R)-4-methyl-6,…

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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) 2.31 5.95 -36.08 2 3 1 33 277.413 4 ↓
Lo Low (pH 4.5-6) 2.31 8.23 -105.82 3 3 2 34 278.421 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methanamine N-methyl-1-[3-[[(4S)-4-methyl-6,…

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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) 2.31 5.93 -40.42 2 3 1 33 277.413 4 ↓
Lo Low (pH 4.5-6) 2.31 8.04 -106.96 3 3 2 34 278.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methyl]ethanamine N-[[3-[[(4S)-4-methyl-6,7-dihydr…

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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) 2.69 6.8 -39.1 2 3 1 33 291.44 5 ↓
Lo Low (pH 4.5-6) 2.69 8.91 -107.21 3 3 2 34 292.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methyl]ethanamine N-[[3-[[(4R)-4-methyl-6,7-dihydr…

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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) 2.69 6.81 -35.22 2 3 1 33 291.44 5 ↓
Lo Low (pH 4.5-6) 2.69 9.1 -105.58 3 3 2 34 292.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[(4S)-4-methyl-6,7-dihydr…

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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) 3.19 7.55 -39.94 2 3 1 33 305.467 6 ↓
Lo Low (pH 4.5-6) 3.19 9.66 -109.17 3 3 2 34 306.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[(4R)-4-methyl-6,7-dihydr…

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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) 3.19 7.56 -35.9 2 3 1 33 305.467 6 ↓
Lo Low (pH 4.5-6) 3.19 9.85 -107.47 3 3 2 34 306.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[(4R)-4-methyl-6,7-dihydr…

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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) 2.98 7.33 -33.3 2 3 1 33 305.467 5 ↓
Lo Low (pH 4.5-6) 2.98 9.63 -104.78 3 3 2 34 306.475 5 ↓

Analogs

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Popular Name: N-[[3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[(4S)-4-methyl-6,7-dihydr…

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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) 2.98 7.32 -37.67 2 3 1 33 305.467 5 ↓
Lo Low (pH 4.5-6) 2.98 9.42 -106.71 3 3 2 34 306.475 5 ↓

Analogs

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Popular Name: [3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methanamine [3-[[(4R)-4-methyl-6,7-dihydro-4…

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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) 1.94 4.08 -41.1 3 3 1 44 263.386 3 ↓
Lo Low (pH 4.5-6) 1.94 6.36 -112.18 4 3 2 45 264.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methanamine [3-[[(4S)-4-methyl-6,7-dihydro-4…

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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) 1.94 4.06 -46.02 3 3 1 44 263.386 3 ↓
Lo Low (pH 4.5-6) 1.94 6.16 -113.01 4 3 2 45 264.394 3 ↓

Analogs

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Popular Name: [5-methyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methanamine [5-methyl-4-[[(4S)-4-methyl-6,7-…

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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 4.93 -46.5 3 3 1 44 277.413 3 ↓
Mid Mid (pH 6-8) 2.16 7.02 -100.11 4 3 2 45 278.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-methyl-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]methanamine [5-methyl-4-[[(4R)-4-methyl-6,7-…

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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 4.97 -45.91 3 3 1 44 277.413 3 ↓
Mid Mid (pH 6-8) 2.16 7.05 -97.29 4 3 2 45 278.421 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-methyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]meth N-methyl-1-[5-methyl-4-[[(4S)-4-…

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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 6.81 -41.02 2 3 1 33 291.44 4 ↓
Mid Mid (pH 6-8) 2.53 8.89 -95.16 3 3 2 34 292.448 4 ↓

Analogs

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Popular Name: N-methyl-1-[5-methyl-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-furyl]meth N-methyl-1-[5-methyl-4-[[(4R)-4-…

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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 6.84 -40.42 2 3 1 33 291.44 4 ↓
Mid Mid (pH 6-8) 2.53 8.93 -92.55 3 3 2 34 292.448 4 ↓

Analogs

42771602
42771602
42771606
42771606

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Popular Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-2-carboxylic 3-(6,7-dihydro-4H-thieno[3,2-c]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) 1.77 8.42 -43.35 1 4 0 58 263.318 3 ↓
Mid Mid (pH 6-8) 1.77 6.22 -51.7 0 4 -1 57 262.31 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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