UCSF

ZINC90393815

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2013 0 No

Popular Name: Phosphonoacetic acid Phosphonoacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4408-78-0 , 54870-27-8

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

Vendor Notes

Note Type Comments Provided By
Melting_Point 139-146? Alfa-Aesar
Melting_Point 139-146° Alfa-Aesar
ALOGPS_SOLUBILITY 2.51e+01 g/l DrugBank-experimental
UniProt Database Links DPOL_VACCW; PHND_ECOLI; PHNHY_PENOX; PHNHY_PSECE; PHNHY_PSEFL; PHNHY_PSEPU; RBSK_HUMAN; RBSK_MOUSE ChEBI
UniProt Database Links PHND_ECOLI; PHNHY_PENOX; PHNHY_PSECE; PHNHY_PSEFL; PHNHY_PSEPU ChEBI
Patent Database Links US2002049202; US2005020548; US2007197646; WO2007098247 ChEBI

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

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