UCSF

ZINC53342827

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 Yes

Popular Name: N-[(2-chlorophenyl)methyl]-N'-cyclohexyl-N-methyl-ethane-1,2-diamine N-[(2-chlorophenyl)methyl]-N'-cy…

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) 4.06 10.04 -113.59 3 2 2 21 282.859 6 ↓
Hi High (pH 8-9.5) 4.06 8.86 -32.14 2 2 1 16 281.851 6 ↓
Mid Mid (pH 6-8) 4.06 7.78 -37.15 2 2 1 20 281.851 6 ↓

Activity (Go SEA)

Rings

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

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