UCSF

ZINC20072703

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 10 Yes

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

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) 1.57 2.61 -36.99 2 2 1 20 145.27 6 ↓
Mid Mid (pH 6-8) 1.57 5 -107.14 3 2 2 21 146.278 6 ↓
Mid Mid (pH 6-8) 1.57 3.49 -32.6 2 2 1 16 145.27 6 ↓

Activity (Go SEA)

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