UCSF

ZINC42457714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 Yes

Popular Name: N'-isopentyl-N'-methyl-N-propyl-propane-1,3-diamine N'-isopentyl-N'-methyl-N-propyl-…

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 7.76 -100.88 3 2 2 21 202.386 9 ↓
Hi High (pH 8-9.5) 2.58 6.41 -33.48 2 2 1 16 201.378 9 ↓
Mid Mid (pH 6-8) 2.58 5.44 -36.18 2 2 1 20 201.378 9 ↓

Activity (Go SEA)

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