UCSF

ZINC19527247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 18 Yes

Popular Name: (1-Ethyl-pyrrolidin-2-ylmethyl)-(4-methoxy-benzyl)-amine (1-Ethyl-pyrrolidin-2-ylmethyl)-…

Find On: PubMed — Wikipedia — Google

CAS Number: 727360-94-3

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) 2.35 7.86 -118.3 3 3 2 30 250.386 6 ↓
Mid Mid (pH 6-8) 2.35 6.96 -31.3 2 3 1 26 249.378 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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