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64539229

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	544	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	10.6	0.28	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	10.6	0.28	Binding ≤ 10μM

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)	7.92	18.08	-51.26	3	4	1	70	574.572	12	↓ MOL2 SDF SMILES Flexibase

64539230

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	544	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	10.6	0.28	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	10.6	0.28	Binding ≤ 10μM

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)	7.92	18.19	-61.2	3	4	1	70	574.572	12	↓ MOL2 SDF SMILES Flexibase

64540153

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	138	0.23	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	138	0.23	Binding ≤ 10μM

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)	6.96	15.28	-51.88	4	5	1	75	592.587	12	↓ MOL2 SDF SMILES Flexibase

64540154

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	138	0.23	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	138	0.23	Binding ≤ 10μM

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)	6.96	15.34	-63.44	4	5	1	75	592.587	12	↓ MOL2 SDF SMILES Flexibase

64548443

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Popular Name: methyl methyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	534	0.21	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	12.9	0.27	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	12.9	0.27	Binding ≤ 10μM

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)	8.08	17.63	-53.93	3	5	1	72	593.571	13	↓ MOL2 SDF SMILES Flexibase

64548444

Analogs

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Popular Name: methyl methyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	534	0.21	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	12.9	0.27	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	12.9	0.27	Binding ≤ 10μM

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)	8.08	17.73	-68.41	3	5	1	72	593.571	13	↓ MOL2 SDF SMILES Flexibase

64549029

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	31	0.24	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	30.8	0.24	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	1111	0.19	Binding ≤ 10μM

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)	7.64	17.84	-52.14	3	5	1	66	620.641	13	↓ MOL2 SDF SMILES Flexibase

64549030

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	31	0.24	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	30.8	0.24	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	1111	0.19	Binding ≤ 10μM

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)	7.64	17.95	-64.03	3	5	1	66	620.641	13	↓ MOL2 SDF SMILES Flexibase

64549031

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	103	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	1.02	0.30	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	1.02	0.30	Binding ≤ 10μM

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)	7.70	13.6	-54.19	5	6	1	98	608.586	14	↓ MOL2 SDF SMILES Flexibase

64549032

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	103	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	1.02	0.30	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	1.02	0.30	Binding ≤ 10μM

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)	7.70	13.72	-67.87	5	6	1	98	608.586	14	↓ MOL2 SDF SMILES Flexibase

64549033

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	131	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	0.97	0.29	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	0.97	0.29	Binding ≤ 10μM

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)	7.88	16.7	-53.86	4	5	1	75	620.641	14	↓ MOL2 SDF SMILES Flexibase

64549034

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI-1-E	Renin (cluster #1 Of 1), Eukaryotic	Eukaryotes	131	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
RENI_HUMAN	P00797	Renin, Human	0.97	0.29	Binding ≤ 1μM
RENI_HUMAN	P00797	Renin, Human	0.97	0.29	Binding ≤ 10μM

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)	7.88	16.81	-65.18	4	5	1	75	620.641	14	↓ MOL2 SDF SMILES Flexibase

ZINC 12

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