UCSF

ZINC11800069

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 17 Yes

Popular Name: 2-(2-Pyrrolidin-1-yl-ethoxy)-benzoic acidhydrochloride 2-(2-Pyrrolidin-1-yl-ethoxy)-ben…

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CAS Numbers: 1185060-16-5 , [1185060-16-5]

Download: MOL2 SDF SMILES Flexibase

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) 2.37 0.99 -59.61 1 4 0 54 235.283 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0483928A1; EP0863755A1; EP0980366A1; EP0997465A1; EP1019047A1; EP1027051A1; US5719306; US5723492 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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