UCSF

ZINC53683228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 43 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) -1.06 -13.09 -21.9 10 16 0 269 610.521 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.54e+00 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0065123A1; EP0152106A2; EP0152106B1; EP0216084A2; EP0282942A2; EP0283349A1; EP0283349B1; EP0289366A1; EP0289366B1; EP0421022A1; EP0421022B1; EP0421023A1; EP0421023B1; EP0449557B1; EP0742012A2; EP0772816A2; EP0854707A1; EP0900563A1; EP0911019A1; EP091853 IBM Patent Data

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