UCSF

ZINC87493294

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 20 Yes

Popular Name: (R)-1-Benzyl 2-methyl piperazine-1,2-dicarboxylate (R)-1-Benzyl 2-methyl piperazine…

Find On: PubMed — Wikipedia — Google

CAS Number: [1217598-28-1]

Other Names:

MFCD04115343

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) -1.22 6.82 -73.1 2 6 0 86 278.308 4 ↓
Hi High (pH 8-9.5) -1.22 5.5 -59.95 1 6 -1 82 277.3 4 ↓
Hi High (pH 8-9.5) -3.05 -4.42 -88.36 6 10 0 169 422.529 7 ↓

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

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