UCSF

ZINC71766852

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2011 31 No

Popular Name: Triphosphoric acid,P-[2-[1-(1,6-dihydro-6-oxo-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] ester (9CI) Triphosphoric acid,P-[2-[1-(1,6-…

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CAS Number: 105208-87-5

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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) -4.65 2.77 -480.35 1 18 -5 284 501.11 11 ↓
Mid Mid (pH 6-8) -4.33 3.33 -385.43 1 18 -4 278 502.118 12 ↓
Lo Low (pH 4.5-6) -4.33 2.17 -246.11 2 18 -3 275 503.126 12 ↓

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

No pre-computed analogs available. Try a structural similarity search.