UCSF

ZINC20135930

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 10 Yes

Popular Name: 1,3'-bipyrrolidine 1,3'-bipyrrolidine

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CAS Numbers: 267241-99-6 , 900164-95-6 , 913702-34-8 , 957540-36-2 , 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) 0.65 1.66 -35.23 2 2 1 20 141.238 1 ↓
Hi High (pH 8-9.5) 0.65 2.63 -30.4 2 2 1 16 141.238 1 ↓
Hi High (pH 8-9.5) 0.65 0.22 -1.09 1 2 0 15 140.23 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
PUBCHEM_PATENT_ID US4904632 IBM Patent Data

Activity (Go SEA)

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