UCSF

ZINC42606819

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 Yes

Popular Name: (2S)-N2-methyl-N2-[(1R,2S)-2-methylcyclohexyl]butane-1,2-diamine (2S)-N2-methyl-N2-[(1R,2S)-2-met…

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) 2.16 5.32 -115.54 4 2 2 32 200.37 4 ↓

Activity (Go SEA)

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