UCSF

ZINC66190598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 21 Yes

Popular Name: 1,2-ethanediamine, N-[(2-chlorophenyl)methyl]-N'-(1-phenylpropyl)- 1,2-ethanediamine, N-[(2-chlorop…

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) 3.47 8.77 -38.14 3 2 1 29 303.857 8 ↓
Mid Mid (pH 6-8) 3.47 10.15 -118.48 4 2 2 33 304.865 8 ↓
Mid Mid (pH 6-8) 3.47 8.94 -38.91 3 2 1 29 303.857 8 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.