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

43608398
43608398

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Popular Name: N-[(S)-2-furyl(3-thienyl)methyl]propan-1-amine N-[(S)-2-furyl(3-thienyl)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) 3.00 6.64 -35.97 2 2 1 30 222.333 5 ↓
Hi High (pH 8-9.5) 3.00 5.46 -3.97 1 2 0 25 221.325 5 ↓

Analogs

43608395
43608395

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl(3-thienyl)methyl]propan-1-amine N-[(R)-2-furyl(3-thienyl)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) 3.00 6.64 -35.93 2 2 1 30 222.333 5 ↓
Hi High (pH 8-9.5) 3.00 5.55 -3.52 1 2 0 25 221.325 5 ↓

Analogs

35497379
35497379

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Popular Name: N-[(S)-(2,5-dimethyl-3-thienyl)-(5-nitro-2-furyl)methyl]methanamine N-[(S)-(2,5-dimethyl-3-thienyl)-…

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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 7.12 -48.22 2 5 1 76 267.33 4 ↓
Hi High (pH 8-9.5) 2.65 6.3 -9.91 1 5 0 71 266.322 4 ↓

Analogs

35497378
35497378

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2,5-dimethyl-3-thienyl)-(5-nitro-2-furyl)methyl]methanamine N-[(R)-(2,5-dimethyl-3-thienyl)-…

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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 7.52 -49.32 2 5 1 76 267.33 4 ↓
Hi High (pH 8-9.5) 2.65 6.24 -10.48 1 5 0 71 266.322 4 ↓

Analogs

35497387
35497387

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 2.78 7.63 -37.41 2 2 1 30 236.36 3 ↓
Hi High (pH 8-9.5) 2.78 6.36 -5.61 1 2 0 25 235.352 3 ↓

Analogs

35497385
35497385

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 2.78 7.25 -36.67 2 2 1 30 236.36 3 ↓
Hi High (pH 8-9.5) 2.78 6.43 -5.16 1 2 0 25 235.352 3 ↓

Analogs

35497395
35497395

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-1-(2-furyl)-N-methyl-methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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 6.41 -36.91 2 2 1 30 222.333 3 ↓
Hi High (pH 8-9.5) 2.56 5.59 -4.9 1 2 0 25 221.325 3 ↓

Analogs

35497393
35497393

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-1-(2-furyl)-N-methyl-methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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 6.81 -37.63 2 2 1 30 222.333 3 ↓
Hi High (pH 8-9.5) 2.56 5.53 -5.19 1 2 0 25 221.325 3 ↓

Analogs

35497413
35497413

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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 7.29 -37.22 2 2 1 30 236.36 3 ↓
Hi High (pH 8-9.5) 2.94 5.82 -5.56 1 2 0 25 235.352 3 ↓

Analogs

35497411
35497411

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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 7.17 -36.79 2 2 1 30 236.36 3 ↓
Hi High (pH 8-9.5) 2.94 5.82 -4.52 1 2 0 25 235.352 3 ↓

Analogs

35497420
35497420

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Popular Name: (1S)-1-(5-bromo-2-furyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1S)-1-(5-bromo-2-furyl)-1-(2,5-…

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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) 3.50 7.14 -38.79 2 2 1 30 301.229 3 ↓
Hi High (pH 8-9.5) 3.50 6.32 -4.84 1 2 0 25 300.221 3 ↓

Analogs

35497418
35497418

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-furyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1R)-1-(5-bromo-2-furyl)-1-(2,5-…

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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) 3.50 7.54 -39.71 2 2 1 30 301.229 3 ↓
Hi High (pH 8-9.5) 3.50 6.27 -5.24 1 2 0 25 300.221 3 ↓

Analogs

35502035
35502035

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.81 7.16 -46.79 2 5 1 76 308.166 4 ↓
Hi High (pH 8-9.5) 3.81 6.04 -6.08 1 5 0 71 307.158 4 ↓

Analogs

35502034
35502034

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.81 6.89 -46.11 2 5 1 76 308.166 4 ↓
Hi High (pH 8-9.5) 3.81 5.89 -7 1 5 0 71 307.158 4 ↓

Analogs

35502039
35502039

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.95 7.28 -36.88 2 2 1 30 277.196 3 ↓
Hi High (pH 8-9.5) 3.95 6 -3.44 1 2 0 25 276.188 3 ↓

Analogs

35502038
35502038

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.95 7.01 -36.21 2 2 1 30 277.196 3 ↓
Hi High (pH 8-9.5) 3.95 6.15 -2.84 1 2 0 25 276.188 3 ↓

Analogs

35502043
35502043

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-1-(2-furyl)-N-methyl-methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.72 6.46 -37.28 2 2 1 30 263.169 3 ↓
Hi High (pH 8-9.5) 3.72 5.33 -2.61 1 2 0 25 262.161 3 ↓

Analogs

35502042
35502042

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-1-(2-furyl)-N-methyl-methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 3.72 6.18 -36.7 2 2 1 30 263.169 3 ↓
Hi High (pH 8-9.5) 3.72 5.18 -3.11 1 2 0 25 262.161 3 ↓

Analogs

35502053
35502053

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 4.10 6.87 -36.51 2 2 1 30 277.196 3 ↓
Hi High (pH 8-9.5) 4.10 6.14 -3.46 1 2 0 25 276.188 3 ↓

Analogs

35502052
35502052

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 4.10 6.59 -36.51 2 2 1 30 277.196 3 ↓
Hi High (pH 8-9.5) 4.10 5.82 -2.88 1 2 0 25 276.188 3 ↓

Analogs

35502057
35502057

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-furyl)-1-(2,5-dichloro-3-thienyl)-N-methyl-methanamine (1R)-1-(5-bromo-2-furyl)-1-(2,5-…

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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) 4.66 7.19 -38.63 2 2 1 30 342.065 3 ↓
Hi High (pH 8-9.5) 4.66 6.07 -2.11 1 2 0 25 341.057 3 ↓

Analogs

35502056
35502056

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-furyl)-1-(2,5-dichloro-3-thienyl)-N-methyl-methanamine (1S)-1-(5-bromo-2-furyl)-1-(2,5-…

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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) 4.66 6.91 -37.91 2 2 1 30 342.065 3 ↓
Hi High (pH 8-9.5) 4.66 5.91 -2.78 1 2 0 25 341.057 3 ↓

Analogs

35502452
35502452

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1R)-1-(2,5-dibromo-3-thienyl)-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) 4.07 7.3 -46.23 2 5 1 76 397.068 4 ↓
Hi High (pH 8-9.5) 4.07 6.23 -6.06 1 5 0 71 396.06 4 ↓

Analogs

35502449
35502449

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1S)-1-(2,5-dibromo-3-thienyl)-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) 4.07 7.08 -45.5 2 5 1 76 397.068 4 ↓
Hi High (pH 8-9.5) 4.07 6.09 -6.84 1 5 0 71 396.06 4 ↓

Analogs

35502463
35502463

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1R)-1-(2,5-dibromo-3-thienyl)-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) 4.21 7.41 -36.6 2 2 1 30 366.098 3 ↓
Hi High (pH 8-9.5) 4.21 6.2 -3.42 1 2 0 25 365.09 3 ↓

Analogs

35502460
35502460

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1S)-1-(2,5-dibromo-3-thienyl)-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) 4.21 7.21 -36 2 2 1 30 366.098 3 ↓
Hi High (pH 8-9.5) 4.21 6.35 -2.88 1 2 0 25 365.09 3 ↓

Analogs

35502473
35502473

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-1-(2-furyl)-N-methyl-methanamine (1R)-1-(2,5-dibromo-3-thienyl)-1…

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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) 3.99 6.6 -37.05 2 2 1 30 352.071 3 ↓
Hi High (pH 8-9.5) 3.99 5.54 -2.7 1 2 0 25 351.063 3 ↓

Analogs

35502470
35502470

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-1-(2-furyl)-N-methyl-methanamine (1S)-1-(2,5-dibromo-3-thienyl)-1…

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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) 3.99 6.38 -36.45 2 2 1 30 352.071 3 ↓
Hi High (pH 8-9.5) 3.99 5.38 -3.12 1 2 0 25 351.063 3 ↓

Analogs

35502502
35502502

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1R)-1-(2,5-dibromo-3-thienyl)-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) 4.36 7.04 -36.22 2 2 1 30 366.098 3 ↓
Hi High (pH 8-9.5) 4.36 5.62 -3.12 1 2 0 25 365.09 3 ↓

Analogs

35502499
35502499

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1S)-1-(2,5-dibromo-3-thienyl)-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) 4.36 6.76 -36.32 2 2 1 30 366.098 3 ↓
Hi High (pH 8-9.5) 4.36 6 -2.99 1 2 0 25 365.09 3 ↓

Analogs

35502511
35502511

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-furyl)-1-(2,5-dibromo-3-thienyl)-N-methyl-methanamine (1R)-1-(5-bromo-2-furyl)-1-(2,5-…

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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) 4.92 7.33 -38.28 2 2 1 30 430.967 3 ↓
Hi High (pH 8-9.5) 4.92 6.27 -2.16 1 2 0 25 429.959 3 ↓

Analogs

35502509
35502509

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-furyl)-1-(2,5-dibromo-3-thienyl)-N-methyl-methanamine (1S)-1-(5-bromo-2-furyl)-1-(2,5-…

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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) 4.92 7.11 -37.6 2 2 1 30 430.967 3 ↓
Hi High (pH 8-9.5) 4.92 6.11 -2.78 1 2 0 25 429.959 3 ↓

Parameters Provided:

ring.id = 1506
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 = 1506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1506&filter.purchasability=annotated

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