UCSF

ZINC19735744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 Yes

Popular Name: 1-(3-Methyl-pyridin-2-ylmethyl)-piperazine 1-(3-Methyl-pyridin-2-ylmethyl)-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1185299-95-9 , 524673-92-5 , [1185299-95-9]

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) 0.65 2.44 -39.73 2 3 1 33 192.286 2 ↓
Hi High (pH 8-9.5) 0.65 1.02 -5.23 1 3 0 28 191.278 2 ↓
Mid Mid (pH 6-8) 0.65 2.83 -89.72 3 3 2 34 193.294 2 ↓

Vendor Notes

Note Type Comments Provided By
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.