UCSF

ZINC19371113

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 Yes

Popular Name: 3-(piperazin-1-yl)propanoic acid 3-(piperazin-1-yl)propanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1170114-45-0 , 1210925-41-9 , 22278-11-1 , 27245-31-4

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) -0.84 1.35 -66.34 2 4 0 60 158.201 3 ↓
Lo Low (pH 4.5-6) -0.84 2.78 -115.09 3 4 1 61 159.209 3 ↓
Lo Low (pH 4.5-6) -0.84 1.38 -47.46 2 4 0 57 158.201 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 201-203° Oakwood Chemical
MP 210 - 212 Enamine Building Blocks
MP 210...212 Enamine Building Blocks
MP 71-86° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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