UCSF

ZINC00517578

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: (S)-3-Isobutylpiperazine-2,5-dione (S)-3-Isobutylpiperazine-2,5-dione

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CAS Numbers: 5845-67-0 , [5845-67-0]

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) 0.53 -0.13 -8.03 2 4 0 58 170.212 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 255? Indofine

Activity (Go SEA)

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