UCSF

ZINC19527253

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 17 Yes

Popular Name: (1-Ethyl-pyrrolidin-2-ylmethyl)-(2-fluoro-benzyl)-amine (1-Ethyl-pyrrolidin-2-ylmethyl)-…

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CAS Numbers: 726162-88-5 , [726162-88-5]

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) 2.41 8.59 -109.09 3 2 2 21 238.35 5 ↓
Mid Mid (pH 6-8) 2.41 8.02 -28.62 2 2 1 16 237.342 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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