UCSF

ZINC61701327

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 13 Yes

Popular Name: 1-methyl-N-phenyl-pyrrolidin-2-imine 1-methyl-N-phenyl-pyrrolidin-2-i…

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Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.86 6.97 -25.44 1 2 1 15 175.255 2 ↓
Hi High (pH 8-9.5) 2.37 6.32 -6.32 0 2 0 16 174.247 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0385038A1; WO1996017612A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1996017612A1 IBM Patent Data

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Rings

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

No pre-computed analogs available. Try a structural similarity search.