UCSF

ZINC32445481

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 15 Yes

Popular Name: 2-(2-Fluoro-phenyl)-2-pyrrolidin-1-yl-ethylamine 2-(2-Fluoro-phenyl)-2-pyrrolidin…

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CAS Number: 876716-16-4

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) 1.25 5.88 -116.94 4 2 2 32 210.296 3 ↓
Hi High (pH 8-9.5) 1.25 5.4 -28.34 3 2 1 30 209.288 3 ↓
Mid Mid (pH 6-8) 1.25 4.34 -38.75 3 2 1 31 209.288 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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