UCSF

ZINC66190594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 Yes

Popular Name: 1,2-ethanediamine, N-[(2-chlorophenyl)methyl]-N'-[[4-(1-methylethoxy)phenyl]methyl]- 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) 4.11 8.27 -43.91 3 3 1 38 333.883 9 ↓
Mid Mid (pH 6-8) 4.11 8.29 -39.66 3 3 1 38 333.883 9 ↓
Mid Mid (pH 6-8) 4.11 9.64 -126.28 4 3 2 42 334.891 9 ↓

Activity (Go SEA)

Rings

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

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