UCSF

ZINC65336808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 18 Yes

Popular Name: tert-butyl 3-(1-piperazinyl)-1-pyrrolidinecarboxylate tert-butyl 3-(1-piperazinyl)-1-p…

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CAS Number: 867265-71-2

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) 0.82 3.11 -44.31 2 5 1 49 256.37 3 ↓
Hi High (pH 8-9.5) 0.82 1.73 -6.58 1 5 0 45 255.362 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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

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