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ZINC Item

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748987

Analogs

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Popular Name: 5-[(4-chlorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(4-chlorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.41	12.02	-13.81	3	6	0	73	462.981	6	↓ MOL2 SDF SMILES Flexibase

748988

Analogs

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Popular Name: 5-[(4-chlorophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(4-chlorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.41	12.01	-13.57	3	6	0	73	462.981	6	↓ MOL2 SDF SMILES Flexibase

748991

Analogs

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Popular Name: 5-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-(phenylcarbamoylamino)-N-[(1S)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.73	10.31	-20.63	3	6	0	73	428.536	6	↓ MOL2 SDF SMILES Flexibase

748992

Analogs

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Popular Name: 5-(phenylcarbamoylamino)-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-(phenylcarbamoylamino)-N-[(1R)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.73	10.35	-20.11	3	6	0	73	428.536	6	↓ MOL2 SDF SMILES Flexibase

748993

Analogs

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Popular Name: 5-[(3-chlorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-chlorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.38	12.02	-15.33	3	6	0	73	462.981	6	↓ MOL2 SDF SMILES Flexibase

748994

Analogs

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Popular Name: 5-[(3-chlorophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-chlorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.38	12.01	-15.09	3	6	0	73	462.981	6	↓ MOL2 SDF SMILES Flexibase

748995

Analogs

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Popular Name: 5-(m-tolylcarbamoylamino)-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-(m-tolylcarbamoylamino)-N-[(1S…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	10.99	-20.46	3	6	0	73	442.563	6	↓ MOL2 SDF SMILES Flexibase

748996

Analogs

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Popular Name: 5-(m-tolylcarbamoylamino)-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-(m-tolylcarbamoylamino)-N-[(1R…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	11.02	-20.64	3	6	0	73	442.563	6	↓ MOL2 SDF SMILES Flexibase

748997

Analogs

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Popular Name: N-[(1S)-1-phenylethyl]-5-(p-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-[(1S)-1-phenylethyl]-5-(p-toly…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	12.18	-13.87	3	6	0	73	442.563	6	↓ MOL2 SDF SMILES Flexibase

748998

Analogs

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Popular Name: N-[(1R)-1-phenylethyl]-5-(p-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-[(1R)-1-phenylethyl]-5-(p-toly…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	12.17	-13.57	3	6	0	73	442.563	6	↓ MOL2 SDF SMILES Flexibase

749001

Analogs

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Popular Name: 4-[[3-[[(1S)-1-phenylethyl]carbamoyl]-4-pyrrolidino-phenyl]carbamoylamino]benzoic-acid-ethyl-ester 4-[[3-[[(1S)-1-phenylethyl]carba…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.27	-1.7	-17.89	3	8	0	99	500.599	9	↓ MOL2 SDF SMILES Flexibase

749002

Analogs

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Popular Name: 4-[[3-[[(1R)-1-phenylethyl]carbamoyl]-4-pyrrolidino-phenyl]carbamoylamino]benzoic-acid-ethyl-ester 4-[[3-[[(1R)-1-phenylethyl]carba…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.27	-1.7	-17.57	3	8	0	99	500.599	9	↓ MOL2 SDF SMILES Flexibase

749003

Analogs

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Popular Name: 5-[(2-fluorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2-fluorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	-2.05	-13.24	3	6	0	73	446.526	6	↓ MOL2 SDF SMILES Flexibase

749004

Analogs

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Popular Name: 5-[(2-fluorophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2-fluorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	-2.05	-13.33	3	6	0	73	446.526	6	↓ MOL2 SDF SMILES Flexibase

749005

Analogs

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Popular Name: 5-[(3-fluorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-fluorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.87	10.43	-23.79	3	6	0	73	446.526	6	↓ MOL2 SDF SMILES Flexibase

749006

Analogs

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Popular Name: 5-[(3-fluorophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-fluorophenyl)carbamoylamin…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.87	10.42	-23.87	3	6	0	73	446.526	6	↓ MOL2 SDF SMILES Flexibase

749007

Analogs

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Popular Name: 5-[(2-bromophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2-bromophenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.49	12.28	-11.32	3	6	0	73	507.432	6	↓ MOL2 SDF SMILES Flexibase

749008

Analogs

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Popular Name: 5-[(2-bromophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2-bromophenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.49	12.27	-11.16	3	6	0	73	507.432	6	↓ MOL2 SDF SMILES Flexibase

749009

Analogs

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Popular Name: 5-[(3-bromophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-bromophenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.51	12.13	-15.24	3	6	0	73	507.432	6	↓ MOL2 SDF SMILES Flexibase

749010

Analogs

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Popular Name: 5-[(3-bromophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-bromophenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.51	12.12	-15	3	6	0	73	507.432	6	↓ MOL2 SDF SMILES Flexibase

749015

Analogs

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Popular Name: 5-[(2,4-difluorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,4-difluorophenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.98	11.71	-11.27	3	6	0	73	464.516	6	↓ MOL2 SDF SMILES Flexibase

749016

Analogs

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Popular Name: 5-[(2,4-difluorophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,4-difluorophenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.98	11.71	-11.05	3	6	0	73	464.516	6	↓ MOL2 SDF SMILES Flexibase

749017

Analogs

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Popular Name: 5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,4-dimethoxyphenyl)carbamoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	10.25	-13.53	3	8	0	92	488.588	8	↓ MOL2 SDF SMILES Flexibase

749018

Analogs

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Popular Name: 5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,4-dimethoxyphenyl)carbamoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	10.24	-13.32	3	8	0	92	488.588	8	↓ MOL2 SDF SMILES Flexibase

749019

Analogs

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Popular Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,6-dimethylphenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	11.84	-19.59	3	6	0	73	456.59	6	↓ MOL2 SDF SMILES Flexibase

749020

Analogs

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Popular Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,6-dimethylphenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	11.88	-19.28	3	6	0	73	456.59	6	↓ MOL2 SDF SMILES Flexibase

749021

Analogs

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Popular Name: N-[(1S)-1-phenylethyl]-5-(p-phenetylcarbamoylamino)-2-pyrrolidino-benzamide N-[(1S)-1-phenylethyl]-5-(p-phen…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	11.72	-14.56	3	7	0	83	472.589	8	↓ MOL2 SDF SMILES Flexibase

749022

Analogs

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Popular Name: N-[(1R)-1-phenylethyl]-5-(p-phenetylcarbamoylamino)-2-pyrrolidino-benzamide N-[(1R)-1-phenylethyl]-5-(p-phen…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	11.71	-14.4	3	7	0	83	472.589	8	↓ MOL2 SDF SMILES Flexibase

749023

Analogs

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Popular Name: 5-[(4-ethylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(4-ethylphenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.64	12.94	-13.7	3	6	0	73	456.59	7	↓ MOL2 SDF SMILES Flexibase

749024

Analogs

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Popular Name: 5-[(4-ethylphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(4-ethylphenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.64	12.94	-13.42	3	6	0	73	456.59	7	↓ MOL2 SDF SMILES Flexibase

749025

Analogs

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Popular Name: 5-[(2-methoxyphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2-methoxyphenyl)carbamoylami…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	-2.68	-14.35	3	7	0	82	458.562	7	↓ MOL2 SDF SMILES Flexibase

749026

Analogs

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Popular Name: 5-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2-methoxyphenyl)carbamoylami…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	-2.66	-13.96	3	7	0	82	458.562	7	↓ MOL2 SDF SMILES Flexibase

749027

Analogs

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Popular Name: 5-[(3-methoxyphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-methoxyphenyl)carbamoylami…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.76	10.87	-16.66	3	7	0	83	458.562	7	↓ MOL2 SDF SMILES Flexibase

749028

Analogs

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Popular Name: 5-[(3-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-methoxyphenyl)carbamoylami…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.76	10.86	-16.92	3	7	0	83	458.562	7	↓ MOL2 SDF SMILES Flexibase

749029

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Popular Name: 5-[(4-methoxyphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(4-methoxyphenyl)carbamoylami…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	-2.83	-16.76	3	7	0	82	458.562	7	↓ MOL2 SDF SMILES Flexibase

749030

Analogs

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Popular Name: 5-[(4-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(4-methoxyphenyl)carbamoylami…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	-2.8	-15.99	3	7	0	82	458.562	7	↓ MOL2 SDF SMILES Flexibase

749031

Analogs

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Popular Name: 5-[[4-(methylthio)phenyl]carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[[4-(methylthio)phenyl]carbamo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	-3.19	-16.51	3	6	0	73	474.63	7	↓ MOL2 SDF SMILES Flexibase

749032

Analogs

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Popular Name: 5-[[4-(methylthio)phenyl]carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[[4-(methylthio)phenyl]carbamo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	-3.17	-15.6	3	6	0	73	474.63	7	↓ MOL2 SDF SMILES Flexibase

749033

Analogs

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Popular Name: 5-(o-tolylcarbamoylamino)-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-(o-tolylcarbamoylamino)-N-[(1S…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.13	11.16	-20.45	3	6	0	73	442.563	6	↓ MOL2 SDF SMILES Flexibase

749034

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Popular Name: 5-(o-tolylcarbamoylamino)-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-(o-tolylcarbamoylamino)-N-[(1R…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.13	11.17	-20.1	3	6	0	73	442.563	6	↓ MOL2 SDF SMILES Flexibase

749035

Analogs

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Popular Name: 5-[(2,4-dimethylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,4-dimethylphenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.55	11.83	-20.72	3	6	0	73	456.59	6	↓ MOL2 SDF SMILES Flexibase

749036

Analogs

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Popular Name: 5-[(2,4-dimethylphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(2,4-dimethylphenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.55	11.83	-20.81	3	6	0	73	456.59	6	↓ MOL2 SDF SMILES Flexibase

749037

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3,4-difluorophenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.98	11.62	-17.75	3	6	0	73	464.516	6	↓ MOL2 SDF SMILES Flexibase

749038

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3,4-difluorophenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.98	11.62	-17.45	3	6	0	73	464.516	6	↓ MOL2 SDF SMILES Flexibase

749039

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Popular Name: 5-[(3-ethylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-ethylphenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.62	12.94	-13.52	3	6	0	73	456.59	7	↓ MOL2 SDF SMILES Flexibase

749040

Analogs

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Popular Name: 5-[(3-ethylphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-ethylphenyl)carbamoylamino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.62	12.94	-13.23	3	6	0	73	456.59	7	↓ MOL2 SDF SMILES Flexibase

749041

Analogs

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Popular Name: 5-[(3,4-dimethylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3,4-dimethylphenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.55	12.73	-13.95	3	6	0	73	456.59	6	↓ MOL2 SDF SMILES Flexibase

749042

Analogs

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Popular Name: 5-[(3,4-dimethylphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3,4-dimethylphenyl)carbamoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.55	12.73	-13.62	3	6	0	73	456.59	6	↓ MOL2 SDF SMILES Flexibase

749045

Analogs

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Popular Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-chloro-4-fluoro-phenyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.50	12.07	-16.55	3	6	0	73	480.971	6	↓ MOL2 SDF SMILES Flexibase

749046

Analogs

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Popular Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-pyrrolidino-benzamide 5-[(3-chloro-4-fluoro-phenyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.50	12.06	-16.19	3	6	0	73	480.971	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 837
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 = 837 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "837"        

    });
</script>

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