UCSF

ZINC39174839

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2010 15 Yes

Popular Name: 1-Benzo[1,3]dioxol-5-yl-N*1*,N*1*-dimethyl-ethane-1,2-diamine 1-Benzo[1,3]dioxol-5-yl-N*1*,N*1…

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CAS Numbers: 876715-69-4 , 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) 0.62 1.07 -49.22 3 4 1 49 209.269 3 ↓
Mid Mid (pH 6-8) 0.62 2.99 -122.62 4 4 2 51 210.277 3 ↓
Mid Mid (pH 6-8) 0.62 2.65 -40.97 3 4 1 49 209.269 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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