UCSF

ZINC62949319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 Yes

Popular Name: 4-ethyl-1-(6-methyl-3-pyridyl)cyclohexanamine 4-ethyl-1-(6-methyl-3-pyridyl)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) 2.57 5 -45.93 3 2 1 41 219.352 2 ↓
Hi High (pH 8-9.5) 2.57 5.32 -3.4 2 2 0 39 218.344 2 ↓
Mid Mid (pH 6-8) 2.57 5.44 -102.91 4 2 2 42 220.36 2 ↓

Activity (Go SEA)

Rings

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

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