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Analogs

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Popular Name: 1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea 1-[(2S)-2-dimethylamino-2-(3-thi…

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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) 2.28 5.76 -59.74 3 7 1 73 380.49 8 ↓
Mid Mid (pH 6-8) 2.28 3.24 -15.93 2 7 0 72 379.482 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea 1-[(2R)-2-dimethylamino-2-(3-thi…

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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) 2.28 6.18 -58.45 3 7 1 73 380.49 8 ↓
Mid Mid (pH 6-8) 2.28 3.96 -17.25 2 7 0 72 379.482 8 ↓

Analogs

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Popular Name: 3-(3,4-dichlorophenyl)-1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(3,4-dichlorophenyl)-1-[(2R)-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) 3.93 7.97 -54.58 3 4 1 46 359.302 5 ↓
Mid Mid (pH 6-8) 3.93 5.66 -14.29 2 4 0 44 358.294 5 ↓

Analogs

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Popular Name: 3-(3,4-dichlorophenyl)-1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(3,4-dichlorophenyl)-1-[(2S)-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) 3.93 7.74 -49.12 3 4 1 46 359.302 5 ↓
Mid Mid (pH 6-8) 3.93 5.48 -13.61 2 4 0 44 358.294 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(3-methoxyphenyl)urea 1-[(2S)-2-dimethylamino-2-(3-thi…

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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) 2.68 6.42 -56.08 3 5 1 55 320.438 6 ↓
Mid Mid (pH 6-8) 2.68 4.02 -14.33 2 5 0 54 319.43 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(3-methoxyphenyl)urea 1-[(2R)-2-dimethylamino-2-(3-thi…

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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) 2.68 5.93 -54.18 3 5 1 55 320.438 6 ↓
Mid Mid (pH 6-8) 2.68 3.59 -14.73 2 5 0 54 319.43 6 ↓

Analogs

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Popular Name: 3-(2,3-dimethoxyphenyl)-1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(2,3-dimethoxyphenyl)-1-[(2S)-…

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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) 2.47 6.53 -51.96 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.47 4.15 -10.36 2 6 0 63 349.456 7 ↓

Analogs

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Popular Name: 3-(2,3-dimethoxyphenyl)-1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(2,3-dimethoxyphenyl)-1-[(2R)-…

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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) 2.47 6.43 -49.71 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.47 4.11 -11.89 2 6 0 63 349.456 7 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(3,4-dimethoxyphenyl)-1-[(2S)-…

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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) 2.29 6.04 -50.61 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.29 3.78 -14.95 2 6 0 63 349.456 7 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(3,4-dimethoxyphenyl)-1-[(2R)-…

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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) 2.29 6.27 -54.52 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.29 3.94 -15.34 2 6 0 63 349.456 7 ↓

Analogs

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Popular Name: 3-(2,4-dimethoxyphenyl)-1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(2,4-dimethoxyphenyl)-1-[(2S)-…

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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 5.53 -46.23 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.69 3.27 -11.48 2 6 0 63 349.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dimethoxyphenyl)-1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(2,4-dimethoxyphenyl)-1-[(2R)-…

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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 5.36 -49.98 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.69 3 -10.75 2 6 0 63 349.456 7 ↓

Analogs

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Popular Name: 1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(4-fluorophenyl)urea 1-[(2R)-2-dimethylamino-2-(3-thi…

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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) 2.81 6.83 -53.65 3 4 1 46 308.402 5 ↓
Mid Mid (pH 6-8) 2.81 4.44 -11.72 2 4 0 44 307.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(4-fluorophenyl)urea 1-[(2S)-2-dimethylamino-2-(3-thi…

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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) 2.81 6.81 -47.62 3 4 1 46 308.402 5 ↓
Mid Mid (pH 6-8) 2.81 4.53 -12.12 2 4 0 44 307.394 5 ↓

Analogs

25814687
25814687
25814692
25814692

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(4-methoxyphenyl)urea 1-[(2S)-2-dimethylamino-2-(3-thi…

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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) 2.70 6.04 -47.51 3 5 1 55 320.438 6 ↓
Mid Mid (pH 6-8) 2.70 3.79 -13.43 2 5 0 54 319.43 6 ↓

Analogs

25814687
25814687
25814692
25814692

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(4-methoxyphenyl)urea 1-[(2R)-2-dimethylamino-2-(3-thi…

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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) 2.70 5.91 -54.03 3 5 1 55 320.438 6 ↓
Mid Mid (pH 6-8) 2.70 3.55 -12.87 2 5 0 54 319.43 6 ↓

Analogs

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Popular Name: 3-(5-chloro-2-methoxy-phenyl)-1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(5-chloro-2-methoxy-phenyl)-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) 3.31 6.72 -45.03 3 5 1 55 354.883 6 ↓
Mid Mid (pH 6-8) 3.31 4.48 -11.43 2 5 0 54 353.875 6 ↓

Analogs

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Popular Name: 3-(5-chloro-2-methoxy-phenyl)-1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(5-chloro-2-methoxy-phenyl)-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) 3.31 6.63 -49.93 3 5 1 55 354.883 6 ↓
Mid Mid (pH 6-8) 3.31 4.27 -10.97 2 5 0 54 353.875 6 ↓

Analogs

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Popular Name: 1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(2-methoxyphenyl)urea 1-[(2S)-2-dimethylamino-2-(3-thi…

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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 6.23 -44.72 3 5 1 55 320.438 6 ↓
Mid Mid (pH 6-8) 2.65 4 -11 2 5 0 54 319.43 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]-3-(2-methoxyphenyl)urea 1-[(2R)-2-dimethylamino-2-(3-thi…

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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 6.03 -48.76 3 5 1 55 320.438 6 ↓
Mid Mid (pH 6-8) 2.65 3.68 -10.02 2 5 0 54 319.43 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]-1-(2-ethoxyphenyl)urea 3-[(2S)-2-dimethylamino-2-(3-thi…

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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) 3.03 7.11 -44.09 3 5 1 55 334.465 7 ↓
Mid Mid (pH 6-8) 3.03 4.82 -10.65 2 5 0 54 333.457 7 ↓

Analogs

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Popular Name: 3-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]-1-(2-ethoxyphenyl)urea 3-[(2R)-2-dimethylamino-2-(3-thi…

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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) 3.03 6.95 -48.2 3 5 1 55 334.465 7 ↓
Mid Mid (pH 6-8) 3.03 4.6 -9.69 2 5 0 54 333.457 7 ↓

Analogs

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Popular Name: 3-(3,5-dimethoxyphenyl)-1-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(3,5-dimethoxyphenyl)-1-[(2S)-…

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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 5.37 -48.66 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.69 3.11 -14.94 2 6 0 63 349.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-dimethoxyphenyl)-1-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]urea 3-(3,5-dimethoxyphenyl)-1-[(2R)-…

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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 5.26 -54.09 3 6 1 64 350.464 7 ↓
Mid Mid (pH 6-8) 2.69 2.91 -14.27 2 6 0 63 349.456 7 ↓

Analogs

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Popular Name: 1-(4-butoxyphenyl)-3-[(2S)-2-dimethylamino-2-(3-thienyl)ethyl]urea 1-(4-butoxyphenyl)-3-[(2S)-2-dim…

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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) 4.14 8.52 -52.52 3 5 1 55 362.519 9 ↓
Mid Mid (pH 6-8) 4.14 6.03 -12.67 2 5 0 54 361.511 9 ↓

Analogs

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Popular Name: 1-(4-butoxyphenyl)-3-[(2R)-2-dimethylamino-2-(3-thienyl)ethyl]urea 1-(4-butoxyphenyl)-3-[(2R)-2-dim…

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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) 4.14 8.4 -53.61 3 5 1 55 362.519 9 ↓
Mid Mid (pH 6-8) 4.14 6.05 -12.4 2 5 0 54 361.511 9 ↓

Analogs

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Popular Name: 3-[[(2R)-2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoylamino]-N,N,4-trimethyl-benzamide 3-[[(2R)-2-(dimethylamino)-2-(3-…

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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) 1.99 7.48 -50.19 3 6 1 66 375.518 6 ↓
Hi High (pH 8-9.5) 1.99 4.93 -17.84 2 6 0 65 374.51 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S)-2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoylamino]-N,N,4-trimethyl-benzamide 3-[[(2S)-2-(dimethylamino)-2-(3-…

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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) 1.99 7.51 -51.69 3 6 1 66 375.518 6 ↓
Hi High (pH 8-9.5) 1.99 5.32 -19.15 2 6 0 65 374.51 6 ↓

Analogs

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Popular Name: 5-iodo-2-[2-(3-thienyl)ethylcarbamoylamino]benzoic 5-iodo-2-[2-(3-thienyl)ethylcarb…

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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) 3.94 7.55 -42.64 2 5 -1 81 415.232 5 ↓

Analogs

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Popular Name: 3-bromo-2-[2-(3-thienyl)ethylcarbamoylamino]benzoic 3-bromo-2-[2-(3-thienyl)ethylcar…

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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) 3.64 7.04 -46.39 2 5 -1 81 368.232 5 ↓

Analogs

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Popular Name: 3-fluoro-4-[2-(3-thienyl)ethylcarbamoylamino]benzoic 3-fluoro-4-[2-(3-thienyl)ethylca…

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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) 2.84 6.24 -50.08 2 5 -1 81 307.326 5 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methoxy-phenyl)-3-[2-(3-thienyl)ethyl]urea 1-(3-chloro-2-methoxy-phenyl)-3-…

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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) 3.48 5.64 -8.91 2 4 0 50 310.806 5 ↓

Analogs

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Popular Name: 1-(4-bromo-2-chloro-6-methyl-phenyl)-3-[2-(3-thienyl)ethyl]urea 1-(4-bromo-2-chloro-6-methyl-phe…

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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) 4.63 7.9 -9.84 2 3 0 41 373.703 4 ↓

Analogs

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Popular Name: 1-(2-methoxy-4-methyl-phenyl)-3-[2-(3-thienyl)ethyl]urea 1-(2-methoxy-4-methyl-phenyl)-3-…

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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) 3.27 5.65 -10.27 2 4 0 50 290.388 5 ↓

Analogs

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Popular Name: 1-(4-tert-butylphenyl)-3-[2-(3-thienyl)ethyl]urea 1-(4-tert-butylphenyl)-3-[2-(3-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) 4.54 7.87 -10.38 2 3 0 41 302.443 5 ↓

Analogs

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Popular Name: 1-(3,5-dimethoxyphenyl)-3-[2-(3-thienyl)ethyl]urea 1-(3,5-dimethoxyphenyl)-3-[2-(3-…

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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) 2.88 4.15 -13.49 2 5 0 60 306.387 6 ↓

Analogs

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Popular Name: 1-(2,3-dimethoxyphenyl)-3-[2-(3-thienyl)ethyl]urea 1-(2,3-dimethoxyphenyl)-3-[2-(3-…

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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) 2.66 4.98 -10.95 2 5 0 60 306.387 6 ↓

Analogs

43238193
43238193

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Popular Name: 1-[2-(3-thienyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea 1-[2-(3-thienyl)ethyl]-3-[3-(tri…

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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) 3.71 6.56 -13.13 2 3 0 41 314.332 5 ↓

Analogs

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Popular Name: 1-[2-(3-thienyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea 1-[2-(3-thienyl)ethyl]-3-[4-(tri…

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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) 3.73 6.55 -10.75 2 3 0 41 314.332 5 ↓

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-3-[2-(3-thienyl)ethyl]urea 1-(3,4-dichlorophenyl)-3-[2-(3-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) 4.12 6.52 -9.29 2 3 0 41 315.225 4 ↓

Analogs

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Popular Name: 1-(4-butoxyphenyl)-3-[2-(3-thienyl)ethyl]urea 1-(4-butoxyphenyl)-3-[2-(3-thien…

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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) 4.33 7.34 -10.96 2 4 0 50 318.442 8 ↓

Analogs

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Popular Name: 1-(2,3-difluorophenyl)-3-[(1S)-1-methyl-2-(3-thienyl)ethyl]urea 1-(2,3-difluorophenyl)-3-[(1S)-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) 3.40 6.77 -9.02 2 3 0 41 296.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[(1R)-1-methyl-2-(3-thienyl)ethyl]urea 1-(2,3-difluorophenyl)-3-[(1R)-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) 3.40 6.75 -9.05 2 3 0 41 296.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[2-(3-thienyl)ethyl]urea 1-(2,3-difluorophenyl)-3-[2-(3-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) 3.07 5.73 -8.91 2 3 0 41 282.315 4 ↓

Parameters Provided:

ring.id = 101282
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 = 101282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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