UCSF

ZINC34453156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 Yes

Popular Name: N,N'-diethyl-N'-(p-tolylmethyl)ethane-1,2-diamine N,N'-diethyl-N'-(p-tolylmethyl)e…

Find On: PubMed — Wikipedia — Google

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) 2.38 7.15 -33.5 2 2 1 16 221.368 7 ↓
Mid Mid (pH 6-8) 2.38 6.42 -36.19 2 2 1 20 221.368 7 ↓
Lo Low (pH 4.5-6) 2.38 8.51 -108.91 3 2 2 21 222.376 7 ↓

Activity (Go SEA)

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