UCSF

ZINC53443266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Popular Name: N-methyl-N-(4-methylcyclohexyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-methyl-N-(4-methylcyclohexyl)-…

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) 1.83 5.9 -33.41 2 3 1 26 255.426 6 ↓
Mid Mid (pH 6-8) 1.83 4.87 -35.35 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 1.83 7.33 -112.13 3 3 2 30 256.434 6 ↓

Activity (Go SEA)

Rings

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

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