UCSF

ZINC12501078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 9 No

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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) -3.84 -4.11 -50.56 3 5 0 102 153.159 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0021676A1; EP0050965A1; EP0053815A1; EP0053816A1; EP0229012A1; EP0229012B1; EP0229313A2; EP0249909A1; EP0250096A1; EP0253337A2; EP0271829A2; EP0271829B1; US4416817; US4550105; US4665067; US4675397; US4683303; US4684722; US4725591; US4782147; US4822788 IBM Patent Data

Activity (Go SEA)

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