UCSF

ZINC42783314

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 Yes

Popular Name: 2-Ethyl-1-(3-pyrrolidinyl)piperidinedihydrochloride 2-Ethyl-1-(3-pyrrolidinyl)piperi…

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CAS Numbers: 1219957-46-6 , 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) 2.02 3.44 -37.16 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 2.02 4 -28.94 2 2 1 16 183.319 2 ↓
Hi High (pH 8-9.5) 2.02 1.94 -0.8 1 2 0 15 182.311 2 ↓
Lo Low (pH 4.5-6) 2.02 5.48 -105.29 3 2 2 21 184.327 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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