UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4,5-dichloro-1-methyl-pyrrol-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (4,5-dichloro-1-methyl-pyrrol-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) 1.49 2.53 -7.41 1 4 0 45 263.124 1 ↓

Analogs

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Popular Name: (4,5-dichloro-1-methyl-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (4,5-dichloro-1-methyl-pyrrol-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) 1.49 2.57 -8.35 1 4 0 45 263.124 1 ↓

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-isopropyl-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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) 1.25 5.01 -53.89 3 4 1 53 270.784 3 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-isopropyl-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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) 1.25 5.02 -53.99 3 4 1 53 270.784 3 ↓

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(1-isopropyl-4-nitro-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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) 0.53 5.26 -56.51 3 7 1 99 281.336 4 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-isopropyl-4-nitro-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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) 0.53 5.27 -56.49 3 7 1 99 281.336 4 ↓

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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) 0.28 3.88 -50.79 3 4 1 53 222.312 3 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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) 0.28 3.89 -50.72 3 4 1 53 222.312 3 ↓

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-propyl-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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) 1.39 5.14 -50.11 3 4 1 53 270.784 4 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-propyl-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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) 1.39 5.16 -50.23 3 4 1 53 270.784 4 ↓

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-ethyl-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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) 0.89 4.4 -50.49 3 4 1 53 256.757 3 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-ethyl-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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) 0.89 4.41 -50.43 3 4 1 53 256.757 3 ↓

Analogs

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Popular Name: (2R)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-ethyl-pyrrole-…

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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) -0.12 3.03 -18.03 3 6 0 80 264.329 3 ↓

Analogs

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Popular Name: (2S)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-ethyl-pyrrole-…

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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) -0.12 3.2 -18.12 3 6 0 80 264.329 3 ↓

Analogs

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Popular Name: (2R)-1-(4-amino-1-isopropyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-isopropyl-pyrr…

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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) 0.05 4.88 -18.67 2 6 0 72 292.383 3 ↓

Analogs

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Popular Name: (2S)-1-(4-amino-1-isopropyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-isopropyl-pyrr…

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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) 0.05 5.57 -18.92 2 6 0 72 292.383 3 ↓

Analogs

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Popular Name: (2S)-1-(4-amino-1H-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1H-pyrrole-2-car…

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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) -0.76 1.91 -20.53 3 6 0 82 250.302 2 ↓
Mid Mid (pH 6-8) -1.20 0.65 -58.58 3 6 1 81 251.31 2 ↓

Analogs

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Popular Name: (2R)-1-(4-amino-1H-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1H-pyrrole-2-car…

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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) -0.76 3.04 -22.18 3 6 0 82 250.302 2 ↓
Mid Mid (pH 6-8) -1.20 0.7 -58.35 3 6 1 81 251.31 2 ↓

Analogs

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Popular Name: (2R)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-ethyl-pyrrole-…

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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) -0.32 4.76 -18.65 2 6 0 72 278.356 3 ↓

Analogs

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Popular Name: (2S)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-ethyl-pyrrole-…

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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) -0.32 4.83 -18.73 2 6 0 72 278.356 3 ↓

Analogs

42272276
42272276
42272279
42272279

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Popular Name: (2R)-1-(4-amino-1-methyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-methyl-pyrrole…

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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) -0.69 3.43 -18.83 2 6 0 72 264.329 2 ↓

Analogs

42272276
42272276
42272279
42272279

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Popular Name: (2S)-1-(4-amino-1-methyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-methyl-pyrrole…

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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) -0.69 4.12 -19.22 2 6 0 72 264.329 2 ↓

Analogs

42272282
42272282
42272285
42272285

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Popular Name: (2R)-1-(4-amino-1-propyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-propyl-pyrrole…

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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) 0.19 5.13 -18.37 2 6 0 72 292.383 4 ↓

Analogs

42272282
42272282
42272285
42272285

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Popular Name: (2S)-1-(4-amino-1-propyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-propyl-pyrrole…

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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) 0.19 5.76 -18.75 2 6 0 72 292.383 4 ↓

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(1-methyl-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) -3.52 -2.61 -67.14 3 9 -1 146 316.315 3 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(1-methyl-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) -3.52 -2.61 -68.02 3 9 -1 146 316.315 3 ↓

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(1-methyl-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) -3.52 -2.12 -64.96 3 9 -1 146 316.315 3 ↓

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(1-methyl-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) -3.52 -2.12 -63.6 3 9 -1 146 316.315 3 ↓

Analogs

44614437
44614437
44614440
44614440
20214650
20214650
20214654
20214654

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Popular Name: (2R)-1-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(4,5-dichloro-1-methyl-py…

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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) 0.19 6.82 -54.85 0 5 -1 65 290.126 2 ↓

Analogs

44614437
44614437
44614440
44614440
20214650
20214650
20214654
20214654

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Popular Name: (2S)-1-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(4,5-dichloro-1-methyl-py…

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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) 0.19 6.92 -55.03 0 5 -1 65 290.126 2 ↓

Analogs

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Popular Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] [2-oxo-2-[5-(pyrrolidine-1-carbo…

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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) 0.23 5.95 -22.49 1 7 0 89 294.307 7 ↓

Analogs

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Popular Name: (3S)-1-(4-bromo-1-methyl-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-bromo-1-methyl-pyrrole…

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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) 1.33 6.64 -50.08 0 5 -1 65 314.159 2 ↓

Analogs

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Popular Name: (3R)-1-(4-bromo-1-methyl-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-bromo-1-methyl-pyrrole…

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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) 1.33 6.75 -53.37 0 5 -1 65 314.159 2 ↓

Analogs

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Popular Name: (3S)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4,5-dichloro-1H-pyrrole-…

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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) 1.93 5.76 -47.53 1 5 -1 76 290.126 2 ↓
Mid Mid (pH 6-8) 1.93 5.61 -86.92 0 5 -2 75 289.118 2 ↓

Analogs

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Popular Name: (3R)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4,5-dichloro-1H-pyrrole-…

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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) 1.93 5.9 -51.31 1 5 -1 76 290.126 2 ↓
Mid Mid (pH 6-8) 1.93 5.74 -93.3 0 5 -2 75 289.118 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-methylpyrrole…

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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) 0.59 6.01 -52.76 0 5 -1 65 235.263 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methylpyrrole…

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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) 0.59 6.12 -56.34 0 5 -1 65 235.263 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(4-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-nitro-1H-pyrr…

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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) 0.41 5.46 -85.98 0 8 -2 120 265.225 3 ↓
Lo Low (pH 4.5-6) 0.41 5.63 -41.97 1 8 -1 122 266.233 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(4-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-nitro-1H-pyrr…

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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) 0.41 5.59 -92.59 0 8 -2 120 265.225 3 ↓
Lo Low (pH 4.5-6) 0.41 5.74 -47.61 1 8 -1 122 266.233 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-methyl-4-nitr…

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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) 0.48 6.77 -50.82 0 8 -1 111 280.26 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methyl-4-nitr…

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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) 0.48 6.89 -53.41 0 8 -1 111 280.26 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1H-pyrrole-2-ca…

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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) 0.52 4.88 -53.86 1 5 -1 76 221.236 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1H-pyrrole-2-ca…

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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) 0.52 5 -58.13 1 5 -1 76 221.236 2 ↓

Analogs

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Popular Name: (3S)-1-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-bromo-1H-pyrrole-2-car…

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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) 1.26 5.5 -52.38 1 5 -1 76 300.132 2 ↓

Analogs

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Popular Name: (3R)-1-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-bromo-1H-pyrrole-2-car…

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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) 1.26 5.62 -56.46 1 5 -1 76 300.132 2 ↓

Analogs

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Popular Name: (3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-1H-pyrrole-2-ca…

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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) 1.13 5.4 -52.44 1 5 -1 76 255.681 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-chloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-chloro-1H-pyrrole-2-ca…

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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) 1.13 5.52 -56.48 1 5 -1 76 255.681 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-methyl-5-nitr…

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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) 0.67 7.49 -50.02 0 8 -1 111 280.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methyl-5-nitr…

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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) 0.67 7.6 -53.79 0 8 -1 111 280.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-chloro-1-methyl-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-1-methyl-pyrrol…

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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) 1.20 6.54 -50.16 0 5 -1 65 269.708 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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