UCSF

ZINC04902157

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 19 Yes

Popular Name: (5-Amino-2-pyrrolidin-1-yl-phenyl)-pyrrolidin-1-yl-methanone (5-Amino-2-pyrrolidin-1-yl-pheny…

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CAS Number: 878658-52-7

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) 0.82 6.09 -9.47 2 4 0 50 259.353 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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