UCSF

ZINC14419848

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) 0.34 -2.72 -40.95 3 6 -1 104 150.121 0
Mid Mid (pH 6-8) -0.12 -0.86 -8.68 4 6 0 100 151.129 0

Vendor Notes

Note Type Comments Provided By
biological_source Found in the urine of humans suffering from leukaemia. Isol. from the ascidian Symplegma rubra ZereneX Building Blocks
biological_use DNA mismatch in mutagenesis ZereneX Building Blocks
mechanism . ZereneX Building Blocks
biological_use DNA mismatch in mutagenesis IBScreen Bioactives
PUBCHEM_PATENT_ID EP0253412A2; EP0754046A1; US5142051; US5514798; US5641763; US5686629; US5869467; US5869468; US6060463; WO1995026734A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0754046A1; US5869468; US6060463; WO1995026734A1 IBM Patent Data
mechanism Induces misincorporation in in vitro DNA synthesis and mutation in NIH 3T3 IBScreen Bioactives IBScreen Bioactives
mechanism Inhibits or blocks WRNp IBScreen Bioactives

Activity (Go SEA)

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

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