UCSF

ZINC33535344

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 31 No

Popular Name: (2E)-7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylene]benzofuran-3-one (2E)-7-[[bis(2-methoxyethyl)amin…

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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) 2.86 6.23 -11.37 1 9 0 118 428.441 10 ↓
Hi High (pH 8-9.5) 2.86 7.73 -39.53 0 9 -1 121 427.433 10 ↓
Mid Mid (pH 6-8) 2.86 8.69 -31.69 1 9 0 122 428.441 10 ↓
Mid Mid (pH 6-8) 2.86 8.11 -48.95 2 9 1 119 429.449 10 ↓

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