UCSF

ZINC32495124

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 18 Yes

Popular Name: 2-(3,4-Dimethoxy-phenyl)-2-pyrrolidin-1-yl-ethylamine 2-(3,4-Dimethoxy-phenyl)-2-pyrro…

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CAS Numbers: 1030020-85-9 , 889939-58-6 , 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) 0.78 4.73 -123.92 4 4 2 51 252.358 5 ↓
Hi High (pH 8-9.5) 0.78 2.64 -47.98 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.78 4.38 -38.42 3 4 1 49 251.35 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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