UCSF

ZINC32071616

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 Yes

Popular Name: (1S)-1-(2,5-dimethoxyphenyl)-N-methyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-1-(2,5-dimethoxyphenyl)-N-m…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.28 3.94 -47.99 3 5 1 62 316.425 8 ↓
Mid Mid (pH 6-8) 1.29 4.43 -100.18 4 5 2 63 317.433 8 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.