UCSF

ZINC38202337

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 12 Yes

Popular Name: 1-(pyrrolidin-2-ylmethyl)piperidine 1-(pyrrolidin-2-ylmethyl)piperidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 112906-37-3 , 1220027-38-2 , 65921-41-7 , N/A

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) 1.43 5.81 -108.02 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.43 3.93 -31.4 2 2 1 20 169.292 2 ↓
Mid Mid (pH 6-8) 1.43 4.7 -28.02 2 2 1 16 169.292 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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