UCSF

ZINC61377484

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: N'-[(1S)-1,2-bis(2-thienyl)ethyl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[(1S)-1,2-bis(2-thienyl)ethyl…

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) 3.30 7.76 -33.62 2 3 1 26 325.523 10 ↓
Mid Mid (pH 6-8) 3.30 5.35 -4.74 1 3 0 24 324.515 10 ↓
Lo Low (pH 4.5-6) 3.30 8.98 -107.49 3 3 2 30 326.531 10 ↓
Lo Low (pH 4.5-6) 3.30 6.55 -35.8 2 3 1 29 325.523 10 ↓

Activity (Go SEA)

Rings

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

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