UCSF

ZINC06869115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 11 Yes

Popular Name: N-(3-pyridinylmethyl)-1-propanamine N-(3-pyridinylmethyl)-1-propanamine

Find On: PubMed — Wikipedia — Google

CAS Number: 19730-13-3

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) 1.14 4.25 -41.46 2 2 1 29 151.233 4 ↓
Lo Low (pH 4.5-6) 1.14 4.53 -99.69 3 2 2 31 152.241 4 ↓

Vendor Notes

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

Activity (Go SEA)

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