UCSF

ZINC38193753

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Substance Information

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

Popular Name: 1-(pyrrolidin-2-ylmethyl)pyrrolidine 1-(pyrrolidin-2-ylmethyl)pyrroli…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1219963-95-7 , 195311-28-5 , 51207-66-0 , 60419-23-0 , N/A , [195311-28-5]

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) 0.92 5.15 -106.48 3 2 2 21 156.273 2 ↓
Hi High (pH 8-9.5) 0.92 2.96 -30.43 2 2 1 20 155.265 2 ↓
Mid Mid (pH 6-8) 0.92 4 -27.88 2 2 1 16 155.265 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 84 / 5 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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