UCSF

ZINC37269472

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 12 Yes

Popular Name: N-hexyl-N,N'-dimethyl-ethane-1,2-diamine N-hexyl-N,N'-dimethyl-ethane-1,2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.58 4.13 -35.75 2 2 1 20 173.324 8 ↓
Mid Mid (pH 6-8) 2.58 6.44 -106.61 3 2 2 21 174.332 8 ↓
Mid Mid (pH 6-8) 2.58 5 -32.63 2 2 1 16 173.324 8 ↓

Activity (Go SEA)

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