UCSF

ZINC33824643

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 14 No

Popular Name: 1-Benzyl-2-chloromethyl-pyrrolidine 1-Benzyl-2-chloromethyl-pyrrolidine

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CAS Numbers: 1226950-67-9 , 128574-35-6 , 161564-02-9

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) 2.74 8.79 -31.19 1 1 1 4 210.728 3 ↓
Hi High (pH 8-9.5) 2.74 6.81 -2.96 0 1 0 3 209.72 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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