UCSF

ZINC66188625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 19 Yes

Popular Name: 1,2-ethanediamine, N-(1-phenylpropyl)-N'-[(tetrahydro-2-furanyl)methyl]- 1,2-ethanediamine, N-(1-phenylpr…

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) 1.47 5.87 -38.68 3 3 1 38 263.405 8 ↓
Mid Mid (pH 6-8) 1.47 7.07 -116.12 4 3 2 42 264.413 8 ↓
Mid Mid (pH 6-8) 1.47 5.74 -36.69 3 3 1 38 263.405 8 ↓

Activity (Go SEA)

Rings

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