UCSF

ZINC32556280

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 13 Yes

Popular Name: 4-methyl-1-(2-pyrrolidinylmethyl)piperidine 4-methyl-1-(2-pyrrolidinylmethyl…

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CAS Numbers: 1220027-22-4 , 881041-62-9 , 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) 1.67 6.5 -110.53 3 2 2 21 184.327 2 ↓
Mid Mid (pH 6-8) 1.67 5.17 -31.23 2 2 1 16 183.319 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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