UCSF

ZINC62609029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 16 Yes

Popular Name: (2R)-2-benzyl-1-propyl-piperazine (2R)-2-benzyl-1-propyl-piperazine

Find On: PubMed — Wikipedia — Google

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) 2.31 5.59 -36.88 2 2 1 20 219.352 4 ↓
Hi High (pH 8-9.5) 2.31 4.22 -1.77 1 2 0 15 218.344 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0106284A1; US4593027 IBM Patent Data

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Rings

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

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