UCSF

ZINC42607241

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 Yes

Popular Name: (2R,3R)-N2-methyl-N2-[(1R,2S)-2-methylcyclohexyl]pentane-2,3-diamine (2R,3R)-N2-methyl-N2-[(1R,2S)-2-…

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) 2.56 6.26 -111.98 4 2 2 32 214.397 4 ↓

Activity (Go SEA)

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