UCSF

ZINC33782027

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 No

Popular Name: N-(2-dimethylaminoethyl)-2-[[2-dimethylaminoethyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]ox N-(2-dimethylaminoethyl)-2-[[2-d…

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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) 1.39 8.2 -124.36 3 11 2 130 460.535 12 ↓
Hi High (pH 8-9.5) 1.39 5.66 -71.48 2 11 1 129 459.527 12 ↓
Hi High (pH 8-9.5) 1.39 5.66 -53.43 2 11 1 129 459.527 12 ↓
Hi High (pH 8-9.5) 1.39 3.12 -16.84 1 11 0 128 458.519 12 ↓

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