UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-acetamidopyridine-4-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(2-acetamidopyridine-4-ca…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -2.64 5.01 -65.97 1 7 -1 102 276.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-acetamidopyridine-4-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(2-acetamidopyridine-4-ca…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -2.64 4.94 -64.32 1 7 -1 102 276.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-(dimethylamino)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 2.82 -61.43 1 7 -1 97 278.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-(dimethylamino)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 2.82 -63.56 1 7 -1 97 278.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-[2-(dimethylamino)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.5 -63.69 1 7 -1 97 278.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-[2-(dimethylamino)pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.5 -61.82 1 7 -1 97 278.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(4-pyridyl)methanone [(2S)-2-(2,2-dimethylpropyl)pyrr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.98 6.11 -8.71 0 3 0 33 246.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(4-pyridyl)methanone [(2R)-2-(2,2-dimethylpropyl)pyrr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.98 6.14 -8.97 0 3 0 33 246.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(pyridine-4-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.39 4.74 -51.7 0 5 -1 73 233.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(pyridine-4-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.39 4.85 -47.39 0 5 -1 73 233.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(dimethylamino)pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.05 6.24 -52.04 0 6 -1 77 276.316 3 ↓
Lo Low (pH 4.5-6) 0.05 6.72 -71.16 1 6 0 78 277.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(dimethylamino)pyridine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-(dimethylamino)pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.05 6.35 -49.63 0 6 -1 77 276.316 3 ↓
Lo Low (pH 4.5-6) 0.05 6.79 -54.7 1 6 0 78 277.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(pyridine-4-carbo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.06 5.3 -41.82 0 5 -1 73 247.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(pyridine-4-carbo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.06 5.34 -46.81 0 5 -1 73 247.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-(dimethylamino)pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.39 6.9 -43.26 0 6 -1 77 290.343 4 ↓
Lo Low (pH 4.5-6) 0.39 7.21 -54.99 1 6 0 78 291.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(dimethylamino)pyridine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-(dimethylamino)pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.39 6.94 -48.79 0 6 -1 77 290.343 4 ↓
Lo Low (pH 4.5-6) 0.39 7.25 -54.41 1 6 0 78 291.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(pyridine-4-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.50 6.06 -42.03 0 5 -1 73 261.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(pyridine-4-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.50 6.11 -47.04 0 5 -1 73 261.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-4-pyridyl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-chloro-4-pyridyl)-[(3R)-3-(di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.78 5.3 -49.86 1 4 1 38 254.741 2 ↓
Hi High (pH 8-9.5) 0.78 2.9 -10.96 0 4 0 36 253.733 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-4-pyridyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-chloro-4-pyridyl)-[(3S)-3-(di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.78 5.3 -45.5 1 4 1 38 254.741 2 ↓
Hi High (pH 8-9.5) 0.78 2.88 -7.65 0 4 0 36 253.733 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dichloro-4-pyridyl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2,6-dichloro-4-pyridyl)-[(3R)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.80 5.72 -47.17 1 4 1 38 289.186 2 ↓
Hi High (pH 8-9.5) 1.80 3.33 -7.42 0 4 0 36 288.178 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dichloro-4-pyridyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2,6-dichloro-4-pyridyl)-[(3S)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.80 5.72 -47.15 1 4 1 38 289.186 2 ↓
Hi High (pH 8-9.5) 1.80 3.3 -7.27 0 4 0 36 288.178 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(2-fluoro-4-pyridyl)methanone [(3R)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.27 4.82 -50.93 1 4 1 38 238.286 2 ↓
Hi High (pH 8-9.5) 0.27 2.42 -11.77 0 4 0 36 237.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2-fluoro-4-pyridyl)methanone [(3S)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.27 4.82 -50.85 1 4 1 38 238.286 2 ↓
Hi High (pH 8-9.5) 0.27 2.4 -11.53 0 4 0 36 237.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-4-pyridyl)-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-chloro-4-pyridyl)-[(3R)-3-(di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.54 6.32 -47.81 1 4 1 38 282.795 4 ↓
Hi High (pH 8-9.5) 1.54 4.19 -10.68 0 4 0 36 281.787 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-4-pyridyl)-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-chloro-4-pyridyl)-[(3S)-3-(di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.54 6.32 -43.56 1 4 1 38 282.795 4 ↓
Hi High (pH 8-9.5) 1.54 4.19 -7.65 0 4 0 36 281.787 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dichloro-4-pyridyl)-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone (2,6-dichloro-4-pyridyl)-[(3R)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.74 -45.12 1 4 1 38 317.24 4 ↓
Hi High (pH 8-9.5) 2.56 4.61 -7.2 0 4 0 36 316.232 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dichloro-4-pyridyl)-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone (2,6-dichloro-4-pyridyl)-[(3S)-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.74 -45.2 1 4 1 38 317.24 4 ↓
Hi High (pH 8-9.5) 2.56 4.72 -7.18 0 4 0 36 316.232 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-fluoro-4-pyridyl)methanone [(3R)-3-(diethylamino)pyrrolidin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.02 5.84 -48.94 1 4 1 38 266.34 4 ↓
Hi High (pH 8-9.5) 1.02 3.71 -11.62 0 4 0 36 265.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(diethylamino)pyrrolidin-1-yl]-(2-fluoro-4-pyridyl)methanone [(3S)-3-(diethylamino)pyrrolidin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.02 5.83 -49.1 1 4 1 38 266.34 4 ↓
Hi High (pH 8-9.5) 1.02 3.81 -11.5 0 4 0 36 265.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-pyridyl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-amino-4-pyridyl)-[(3R)-3-(dim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.41 3.62 -47.28 3 5 1 64 235.311 2 ↓
Hi High (pH 8-9.5) -0.41 1.23 -10.59 2 5 0 62 234.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-pyridyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-amino-4-pyridyl)-[(3S)-3-(dim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.41 3.63 -47.31 3 5 1 64 235.311 2 ↓
Hi High (pH 8-9.5) -0.41 1.19 -10.42 2 5 0 62 234.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-chloro-4-pyridyl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-amino-6-chloro-4-pyridyl)-[(3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.61 4.04 -50.2 3 5 1 64 269.756 2 ↓
Hi High (pH 8-9.5) 0.61 1.64 -11.12 2 5 0 62 268.748 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-chloro-4-pyridyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (2-amino-6-chloro-4-pyridyl)-[(3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.61 4.05 -45.72 3 5 1 64 269.756 2 ↓
Hi High (pH 8-9.5) 0.61 1.62 -8.07 2 5 0 62 268.748 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(methylamino)-4-pyridyl]methanone [(3S)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.04 4.5 -47.55 2 5 1 50 249.338 3 ↓
Hi High (pH 8-9.5) -0.04 2.1 -10.7 1 5 0 48 248.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(methylamino)-4-pyridyl]methanone [(3R)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.04 4.52 -47.56 2 5 1 50 249.338 3 ↓
Hi High (pH 8-9.5) -0.04 2.13 -10.88 1 5 0 48 248.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridyl]methanone [(3S)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.34 5.3 -47.19 2 5 1 50 263.365 4 ↓
Hi High (pH 8-9.5) 0.34 2.9 -10.31 1 5 0 48 262.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridyl]methanone [(3R)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.34 5.32 -47.16 2 5 1 50 263.365 4 ↓
Hi High (pH 8-9.5) 0.34 2.93 -10.49 1 5 0 48 262.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridyl]methanone [(3S)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.84 6.06 -47.05 2 5 1 50 277.392 5 ↓
Hi High (pH 8-9.5) 0.84 3.66 -10.12 1 5 0 48 276.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridyl]methanone [(3R)-3-(dimethylamino)pyrrolidi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.84 6.08 -47.09 2 5 1 50 277.392 5 ↓
Hi High (pH 8-9.5) 0.84 3.7 -10.36 1 5 0 48 276.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-(methylamino)-4-pyridyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone [2-chloro-6-(methylamino)-4-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.98 4.91 -45.73 2 5 1 50 283.783 3 ↓
Hi High (pH 8-9.5) 0.98 2.51 -8.11 1 5 0 48 282.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-(methylamino)-4-pyridyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone [2-chloro-6-(methylamino)-4-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.98 4.93 -45.77 2 5 1 50 283.783 3 ↓
Hi High (pH 8-9.5) 0.98 2.54 -8.25 1 5 0 48 282.775 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-(ethylamino)-4-pyridyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone [2-chloro-6-(ethylamino)-4-pyrid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.36 5.71 -45.31 2 5 1 50 297.81 4 ↓
Hi High (pH 8-9.5) 1.36 3.31 -7.67 1 5 0 48 296.802 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-(ethylamino)-4-pyridyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone [2-chloro-6-(ethylamino)-4-pyrid…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.36 5.73 -45.34 2 5 1 50 297.81 4 ↓
Hi High (pH 8-9.5) 1.36 3.34 -7.78 1 5 0 48 296.802 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-(propylamino)-4-pyridyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone [2-chloro-6-(propylamino)-4-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.86 6.48 -45.13 2 5 1 50 311.837 5 ↓
Hi High (pH 8-9.5) 1.86 4.07 -7.48 1 5 0 48 310.829 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-(propylamino)-4-pyridyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone [2-chloro-6-(propylamino)-4-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.86 6.49 -45.13 2 5 1 50 311.837 5 ↓
Hi High (pH 8-9.5) 1.86 4.11 -7.58 1 5 0 48 310.829 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-pyridyl)-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-amino-4-pyridyl)-[(3R)-3-(die…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.34 4.65 -45.2 3 5 1 64 263.365 4 ↓
Hi High (pH 8-9.5) 0.34 2.51 -10.27 2 5 0 62 262.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-pyridyl)-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-amino-4-pyridyl)-[(3S)-3-(die…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.34 4.64 -45.31 3 5 1 64 263.365 4 ↓
Hi High (pH 8-9.5) 0.34 2.49 -10.43 2 5 0 62 262.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-chloro-4-pyridyl)-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-amino-6-chloro-4-pyridyl)-[(3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.36 5.06 -48.16 3 5 1 64 297.81 4 ↓
Hi High (pH 8-9.5) 1.36 2.93 -10.94 2 5 0 62 296.802 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-chloro-4-pyridyl)-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone (2-amino-6-chloro-4-pyridyl)-[(3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.36 5.06 -43.61 3 5 1 64 297.81 4 ↓
Hi High (pH 8-9.5) 1.36 2.91 -8.09 2 5 0 62 296.802 4 ↓

Parameters Provided:

ring.id = 35269
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 = 35269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=35269&filter.purchasability=annotated

Embed Link to Results