UCSF

ZINC32445538

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 10 Yes

Popular Name: 2-(3-Methyl-piperidin-1-yl)-ethylamine 2-(3-Methyl-piperidin-1-yl)-ethy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 85723-75-7 , [85723-75-7]

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) 0.30 3.29 -111.96 4 2 2 32 144.262 2 ↓
Mid Mid (pH 6-8) 0.30 2.89 -30.13 3 2 1 30 143.254 2 ↓
Mid Mid (pH 6-8) 0.30 1.06 -41.19 3 2 1 31 143.254 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.