UCSF

ZINC39141020

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 13 Yes

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

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CAS Numbers: 1220027-14-4 , 881041-19-6 , 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) 1.76 5.99 -102.93 3 2 2 21 184.327 2 ↓
Hi High (pH 8-9.5) 1.76 4.17 -32.22 2 2 1 20 183.319 2 ↓
Mid Mid (pH 6-8) 1.76 5.98 -26.95 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% )