UCSF

ZINC59090750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 18 No

Popular Name: (2S)-N2,N2,4-trimethyl-N1-octyl-pentane-1,2-diamine (2S)-N2,N2,4-trimethyl-N1-octyl-…

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) 4.88 10.48 -115.51 3 2 2 21 258.494 12 ↓
Hi High (pH 8-9.5) 4.88 9.5 -29.89 2 2 1 16 257.486 12 ↓
Mid Mid (pH 6-8) 4.88 8.7 -35.54 2 2 1 20 257.486 12 ↓

Activity (Go SEA)

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