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Quick Search ZINC ID or SMILES

Synonyms (11)
Vendors (19)
Annotations (8)
Representations (2)
Notes (3)
Targets (1)
Clustered (1)
Reactome (2)
Rings (0)
Analogs (31)

ZINC19411026

19411026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
October 31^st, 2008	12	Yes

Popular Name: 1-(pyrrolidin-2-ylcarbonyl)pyrrolidine hydrochloride 1-(pyrrolidin-2-ylcarbonyl)pyrro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1236267-58-5 , 202990-49-6 , N/A , [1236267-58-5]

Other Names:

1-Pyrrolidinyl(2-pyrrolidinyl)methanone hydrochloride

1-Pyrrolidinyl(2-pyrrolidinyl)methanonehydrochloride

Pyrrolidin-1-yl(pyrrolidin-2-yl)methanone hydrochloride

Pyrrolidin-2-yl-pyrrolidin-1-yl-methanone

Pyrrolidine, 1-(2-pyrrolidinylcarbonyl)- (9CI)

pyrrolidine, 1-(2-pyrrolidinylcarbonyl)-, hydrochloride

pyrrolidine, 1-(2-pyrrolidinylcarbonyl)-, monohydrochloride

PYRROLIDINYLPYRROLIDINYLMETHANONEHYDROCHLORID

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.24	3.13	-36.72	2	3	1	37	169.248	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.24	1.75	-7	1	3	0	32	168.24	1	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
Purity	95%	Fluorochem
PUBCHEM_PATENT_ID	EP0232849A2; EP0232849B1; EP0731788A1; US4826870; US5198458	IBM Patent Data
Warnings	IRRITANT	Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4-2-E	Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic	Eukaryotes	2100	0.66	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
DPP4_HUMAN	P27487	Dipeptidyl Peptidase IV, Human	2100	0.66	Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1)	Homo sapiens (DPP4_HUMAN)
Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp	Homo sapiens (DPP4_HUMAN)

Analogs ( Draw Identity 99% 90% 80% 70% )

Zinc Item 37023396

Zinc Item 37023396

Analogs

19411026

Popular Name: (2S)-N-ethyl-N-propyl-pyrrolidine-2-carboxamide (2S)-N-ethyl-N-propyl-pyrrolidin…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	4.46	-35.9	2	3	1	37	185.291	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37023396

Zinc Item 37023398

Zinc Item 37023398

Analogs

19411026

Popular Name: (2R)-N-ethyl-N-propyl-pyrrolidine-2-carboxamide (2R)-N-ethyl-N-propyl-pyrrolidin…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	4.5	-35.98	2	3	1	37	185.291	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37023398

Zinc Item 37023429

Zinc Item 37023429

Analogs

37810133
37810134
37812215
37812216
37825142

Popular Name: (2S)-N-isobutyl-N-methyl-pyrrolidine-2-carboxamide (2S)-N-isobutyl-N-methyl-pyrroli…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	4.1	-36.5	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37023429

Zinc Item 37023431

Zinc Item 37023431

Analogs

37812215
37812216
37825142
37825143
45096693

Popular Name: (2R)-N-isobutyl-N-methyl-pyrrolidine-2-carboxamide (2R)-N-isobutyl-N-methyl-pyrroli…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	4.07	-35.73	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37023431

Zinc Item 37023464

Zinc Item 37023464

Analogs

37810133
37810134
45096693
45096694
48922113

Popular Name: (2S)-N-ethyl-N-isobutyl-pyrrolidine-2-carboxamide (2S)-N-ethyl-N-isobutyl-pyrrolid…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	5.02	-35.46	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37023464

Zinc Item 37023466

Zinc Item 37023466

Analogs

37810133
37810134
37812215
37812216
37825142

Popular Name: (2R)-N-ethyl-N-isobutyl-pyrrolidine-2-carboxamide (2R)-N-ethyl-N-isobutyl-pyrrolid…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	4.95	-35.3	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37023466

Zinc Item 37080108

Zinc Item 37080108

Analogs

37810279
37810280
45096495
45096496
45096695

Popular Name: (2S)-N-cyclopropyl-N-ethyl-pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-ethyl-pyrro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.58	4.09	-36.29	2	3	1	37	183.275	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37080108

Zinc Item 37080109

Zinc Item 37080109

Analogs

37810279
37810280
45096495
45096496
45096695

Popular Name: (2R)-N-cyclopropyl-N-ethyl-pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-ethyl-pyrro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.58	4.09	-35.08	2	3	1	37	183.275	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37080109

Zinc Item 37081226

Zinc Item 37081226

Analogs

37810279
37810280
45096495
45096496
45096695

Popular Name: 2-Pyrrolidinecarboxamide, N-cyclopropyl-N-methyl-, (2S)- (9CI) 2-Pyrrolidinecarboxamide, N-cycl…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	3.23	-36.13	2	3	1	37	169.248	2	↓ MOL2 SDF SMILES Flexibase

More about ZINC37081226

Zinc Item 37081227

Zinc Item 37081227

Analogs

37810279
37810280
45096495
45096496
45096695

Popular Name: 2-Pyrrolidinecarboxamide, N-cyclopropyl-N-methyl-, (2R)- (9CI) 2-Pyrrolidinecarboxamide, N-cycl…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	3.23	-36.26	2	3	1	37	169.248	2	↓ MOL2 SDF SMILES Flexibase

More about ZINC37081227

Zinc Item 37096253

Zinc Item 37096253

Analogs

19411026

Popular Name: (2S)-N-isopropyl-N-propyl-pyrrolidine-2-carboxamide (2S)-N-isopropyl-N-propyl-pyrrol…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	5.02	-34.86	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37096253

Zinc Item 37096254

Zinc Item 37096254

Analogs

19411026

Popular Name: (2R)-N-isopropyl-N-propyl-pyrrolidine-2-carboxamide (2R)-N-isopropyl-N-propyl-pyrrol…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	5.07	-35.55	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37096254

Zinc Item 37097426

Zinc Item 37097426

Analogs

37810279
37810280
45096495
45096496
45096695

Popular Name: (2S)-N-cyclopropyl-N-propyl-pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-propyl-pyrr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	5.03	-35.83	2	3	1	37	197.302	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37097426

Zinc Item 37097427

Zinc Item 37097427

Analogs

37810279
37810280
45096495
45096496
45096695

Popular Name: (2R)-N-cyclopropyl-N-propyl-pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-propyl-pyrr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	4.95	-36.07	2	3	1	37	197.302	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37097427

Zinc Item 37098532

Zinc Item 37098532

Analogs

19411026

Popular Name: (2S)-N-methyl-N-propyl-pyrrolidine-2-carboxamide (2S)-N-methyl-N-propyl-pyrrolidi…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	3.55	-36.44	2	3	1	37	171.264	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37098532

Zinc Item 37098533

Zinc Item 37098533

Analogs

19411026

Popular Name: (2R)-N-methyl-N-propyl-pyrrolidine-2-carboxamide (2R)-N-methyl-N-propyl-pyrrolidi…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	3.53	-35.59	2	3	1	37	171.264	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37098533

Zinc Item 37110328

Zinc Item 37110328

Analogs

19411026

Popular Name: (2S)-N-methyl-N-[(1R)-1-methylpropyl]pyrrolidine-2-carboxamide (2S)-N-methyl-N-[(1R)-1-methylpr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	4.38	-36.17	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37110328

Zinc Item 37110329

Zinc Item 37110329

Analogs

19411026

Popular Name: (2S)-N-methyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2S)-N-methyl-N-[(1S)-1-methylpr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	4.36	-35.96	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37110329

Zinc Item 37110330

Zinc Item 37110330

Analogs

19411026

Popular Name: (2R)-N-methyl-N-[(1R)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-methyl-N-[(1R)-1-methylpr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	4.35	-35.42	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37110330

Zinc Item 37110331

Zinc Item 37110331

Analogs

19411026

Popular Name: (2R)-N-methyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-methyl-N-[(1S)-1-methylpr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	4.35	-35.46	2	3	1	37	185.291	3	↓ MOL2 SDF SMILES Flexibase

More about ZINC37110331

Zinc Item 37113301

Zinc Item 37113301

Analogs

19411026

Popular Name: (2S)-N-ethyl-N-[(1R)-1-methylpropyl]pyrrolidine-2-carboxamide (2S)-N-ethyl-N-[(1R)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	4.94	-35.04	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113301

Zinc Item 37113302

Zinc Item 37113302

Analogs

19411026

Popular Name: (2S)-N-ethyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2S)-N-ethyl-N-[(1S)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.16	-35.65	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113302

Zinc Item 37113303

Zinc Item 37113303

Analogs

19411026

Popular Name: (2R)-N-ethyl-N-[(1R)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-ethyl-N-[(1R)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.17	-35.13	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113303

Zinc Item 37113304

Zinc Item 37113304

Analogs

19411026

Popular Name: (2R)-N-ethyl-N-[(1S)-1-methylpropyl]pyrrolidine-2-carboxamide (2R)-N-ethyl-N-[(1S)-1-methylpro…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.1	-35.54	2	3	1	37	199.318	4	↓ MOL2 SDF SMILES Flexibase

More about ZINC37113304

Zinc Item 37814434

Zinc Item 37814434

Analogs

11754367

Popular Name: (2S)-N,N-dipentylpyrrolidine-2-carboxamide (2S)-N,N-dipentylpyrrolidine-2-c…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	8.34	-36.61	2	3	1	37	255.426	9	↓ MOL2 SDF SMILES Flexibase

More about ZINC37814434

Zinc Item 37814435

Zinc Item 37814435

Analogs

11754367

Popular Name: (2R)-N,N-dipentylpyrrolidine-2-carboxamide (2R)-N,N-dipentylpyrrolidine-2-c…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	8.36	-36.77	2	3	1	37	255.426	9	↓ MOL2 SDF SMILES Flexibase

More about ZINC37814435

Zinc Item 41679539

Zinc Item 41679539

Analogs

11754367

Popular Name: (2S)-N-[4-(dimethylamino)butyl]pyrrolidine-2-carboxamide (2S)-N-[4-(dimethylamino)butyl]p…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.17	3.73	-81.81	4	4	2	50	215.341	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC41679539

Zinc Item 41679540

Zinc Item 41679540

Analogs

11754367

Popular Name: (2R)-N-[4-(dimethylamino)butyl]pyrrolidine-2-carboxamide (2R)-N-[4-(dimethylamino)butyl]p…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.17	3.74	-81.74	4	4	2	50	215.341	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC41679540

Zinc Item 41679648

Zinc Item 41679648

Analogs

11754367

Popular Name: (2S)-N-[4-[isopropyl(methyl)amino]butyl]pyrrolidine-2-carboxamide (2S)-N-[4-[isopropyl(methyl)amin…

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Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.84	4.92	-80.8	4	4	2	50	243.395	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC41679648

Zinc Item 41679649

Zinc Item 41679649

Analogs

11754367

Popular Name: (2R)-N-[4-[isopropyl(methyl)amino]butyl]pyrrolidine-2-carboxamide (2R)-N-[4-[isopropyl(methyl)amin…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.84	4.93	-80.7	4	4	2	50	243.395	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC41679649

Zinc Item 42187915

Zinc Item 42187915

Analogs

43285563
11754370

Popular Name: (2S)-N-(1-methylcyclopentyl)pyrrolidine-2-carboxamide (2S)-N-(1-methylcyclopentyl)pyrr…

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	3.42	-35.42	3	3	1	46	197.302	2	↓ MOL2 SDF SMILES Flexibase

More about ZINC42187915

Synonyms (11)
Vendors (19)
Annotations (8)
Representations (2)
Notes (3)
Targets (1)
Clustered (1)
Reactome (2)
Rings (0)
Analogs (31)