UCSF

ZINC53374760

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-benzyl-N-ethyl-N'-[(1R,2S)-2-methylcyclohexyl]ethane-1,2-diamine N-benzyl-N-ethyl-N'-[(1R,2S)-2-m…

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) 4.05 10.67 -121.25 3 2 2 21 276.468 7 ↓
Mid Mid (pH 6-8) 4.05 8.57 -36.98 2 2 1 20 275.46 7 ↓

Activity (Go SEA)

Rings

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

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