UCSF

ZINC08016204

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 17 Yes

Popular Name: 1-(3-chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid 1-(3-chlorobenzyl)-5-oxopyrrolid…

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CAS Number: 304859-17-4

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) 1.46 0.07 -49.54 0 4 -1 60 252.677 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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