UCSF

ZINC42772828

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 Yes

Popular Name: 3-[(3-isopropylphenoxy)methyl]pyrrolidinehydrochloride 3-[(3-isopropylphenoxy)methyl]py…

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CAS Numbers: 1219949-40-2 , 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) 3.77 6.89 -40.75 2 2 1 26 220.336 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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