UCSF

ZINC00808044

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 16 Yes

Popular Name: 4-(2,2-Dimethyl-3-oxo-piperazin-1-yl)-4-oxo-butyric acid 4-(2,2-Dimethyl-3-oxo-piperazin-…

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CAS Number: 626223-70-9

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) -0.77 2.43 -47.62 1 6 -1 90 227.24 3 ↓
Lo Low (pH 4.5-6) -0.77 0.45 -13.56 2 6 0 87 228.248 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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