UCSF

ZINC66182830

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 3.56 9.19 -36.74 2 2 1 16 289.83 7 ↓
Mid Mid (pH 6-8) 3.56 8.25 -38.18 2 2 1 20 289.83 7 ↓
Lo Low (pH 4.5-6) 3.56 10.57 -117.93 3 2 2 21 290.838 7 ↓

Activity (Go SEA)

Rings

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

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