UCSF

ZINC20287622

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 28 No

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

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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) 1.04 6.22 -83.94 4 7 2 70 411.616 10 ↓
Hi High (pH 8-9.5) 1.04 1.43 -5.94 2 7 0 68 409.6 10 ↓
Mid Mid (pH 6-8) 1.04 3.74 -39.83 3 7 1 69 410.608 10 ↓
Mid Mid (pH 6-8) 1.04 5.59 -81.73 4 7 2 70 411.616 10 ↓

Activity (Go SEA)

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