UCSF

ZINC33754291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 26 Yes

Popular Name: 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic acid, 8-ethyl-3-propyl-, tetrasodium salt; 8-Ethyl-3-propyl-1,5-cyclononadiene-1,2,5,6-tetracarboxylic acid tetrasodium salt; LS-57683; Tetrasodium byssochlamic acid 1,5-Cyclononadiene-1,2,5,6-tetra…

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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) 2.00 11.65 -349.13 0 8 -4 161 364.35 7 ↓
Lo Low (pH 4.5-6) 2.00 7.74 -146.66 2 8 -2 155 366.366 7 ↓
Lo Low (pH 4.5-6) 2.00 9.64 -208.04 1 8 -3 158 365.358 7 ↓

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