UCSF

ZINC20287889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 29 No

Popular Name: N'-(2-diethylaminoethyl)-N-[(1S,2S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]oxamide N'-(2-diethylaminoethyl)-N-[(1S,…

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) 1.42 6.68 -80.52 4 7 2 70 425.643 11 ↓
Hi High (pH 8-9.5) 1.42 2.16 -7.19 2 7 0 68 423.627 11 ↓
Mid Mid (pH 6-8) 1.42 6.31 -86.68 4 7 2 70 425.643 11 ↓
Mid Mid (pH 6-8) 1.42 4.37 -39.7 3 7 1 69 424.635 11 ↓

Activity (Go SEA)

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