UCSF

ZINC38960055

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 12 Yes

Popular Name: N-[1-(aminomethyl)-4-methylcyclohexyl]-N,N-dimethylamine hydrochloride N-[1-(aminomethyl)-4-methylcyclo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 919013-75-5 , [919013-75-5]

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) 0.90 4.64 -114.03 4 2 2 32 172.316 2 ↓
Mid Mid (pH 6-8) 0.90 4.6 -27.04 3 2 1 30 171.308 2 ↓
Mid Mid (pH 6-8) 0.90 2.85 -40.94 3 2 1 31 171.308 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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