UCSF

ZINC43969122

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 Yes

Popular Name: (1R)-1-(3,4-dimethylphenyl)-N'-[(1S)-2-methoxy-1-methyl-ethyl]-N,N'-dimethyl-ethane-1,2-diamine (1R)-1-(3,4-dimethylphenyl)-N'-[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.85 8.2 -112.04 3 3 2 30 266.429 7 ↓
Hi High (pH 8-9.5) 2.85 6.27 -32.65 2 3 1 29 265.421 7 ↓
Hi High (pH 8-9.5) 2.85 4.58 -3.15 1 3 0 24 264.413 7 ↓
Mid Mid (pH 6-8) 2.85 7.13 -30.34 2 3 1 26 265.421 7 ↓

Activity (Go SEA)

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