UCSF

ZINC42783420

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Substance Information

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

Popular Name: 1-(3-Pyrrolidinylmethyl)-4-piperidinoldihydrochloride 1-(3-Pyrrolidinylmethyl)-4-piper…

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CAS Numbers: 1219981-51-7 , 1220027-06-4 , N/A , [1219981-51-7]

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) -0.34 2.15 -102.52 4 3 2 41 186.299 2 ↓
Hi High (pH 8-9.5) -0.34 0.73 -36.22 3 3 1 37 185.291 2 ↓
Hi High (pH 8-9.5) -0.34 -0.03 -37.68 3 3 1 40 185.291 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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