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Quick Search ZINC ID or SMILES

Synonyms (0)
Vendors (1)
Annotations (2)
Representations (2)
Notes (0)
Targets (0)
Clustered (0)
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Analogs (2)

ZINC33526073

33526073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
July 11^th, 2009	39	No

Popular Name: (4Z,5S)-5-(4-benzyloxy-3-methoxy-phenyl)-4-[hydroxy(phenyl)methylene]-1-phenethyl-pyrrolidine-2,3-di (4Z,5S)-5-(4-benzyloxy-3-methoxy…

Find On: PubMed — Wikipedia — Google

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

ChemDB
- 7012446
PubChem
- 5813394
- 3394180

Vendors

Innovapharm Make-on-Demand
- VT-00011779

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)	5.42	16.05	-60.8	0	6	-1	79	518.589	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.42	14.76	-22.57	1	6	0	76	519.597	10	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

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

Zinc Item 8440106

Zinc Item 8440106

Analogs

8440108
33526073
33526074
33775578
33775579

Popular Name: 5-[4-(benzyloxy)-3-methoxyphenyl]-4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one 5-[4-(benzyloxy)-3-methoxyphenyl…

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)	5.86	1.07	-17.49	1	7	0	85	563.65	12	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.27	0.96	-25.12	0	7	0	82	563.65	12	↓ MOL2 SDF SMILES Flexibase

More about ZINC08440106

Zinc Item 8440108

Zinc Item 8440108

Analogs

33526073
33526074
33775578
33775579
34942185

Popular Name: 5-[4-(benzyloxy)-3-methoxyphenyl]-4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one 5-[4-(benzyloxy)-3-methoxyphenyl…

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)	5.86	1.02	-17.57	1	7	0	85	563.65	12	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.27	0.87	-23.4	0	7	0	82	563.65	12	↓ MOL2 SDF SMILES Flexibase

More about ZINC08440108

Synonyms (0)
Vendors (1)
Annotations (2)
Representations (2)
Notes (0)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (2)