UCSF

ZINC22467301

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 11 Yes

Popular Name: 1-Pyrrolidin-3-yl-piperidine 1-Pyrrolidin-3-yl-piperidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 184970-32-9 , 591781-02-1 , 917505-12-5 , 917560-78-2 , N/A , [917505-12-5]

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) 1.16 2.56 -36.71 2 2 1 20 155.265 1 ↓
Hi High (pH 8-9.5) 1.16 3.31 -29.81 2 2 1 16 155.265 1 ↓
Hi High (pH 8-9.5) 1.16 1.17 -1.38 1 2 0 15 154.257 1 ↓

Vendor Notes

Note Type Comments Provided By
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% )