UCSF

ZINC43895014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 Yes

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

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) 4.11 11.13 -116.75 3 2 2 21 276.468 7 ↓
Mid Mid (pH 6-8) 4.11 10.09 -31.13 2 2 1 16 275.46 7 ↓
Mid Mid (pH 6-8) 4.11 9.17 -32.62 2 2 1 20 275.46 7 ↓

Activity (Go SEA)

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