UCSF

ZINC01721693

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) 1.86 -2.86 -9.63 4 5 0 90 274.272 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0742012A2; EP0768079A1; EP1027345A1; US6126940; WO1998007836A1; WO1999019319A1 IBM Patent Data

Activity (Go SEA)

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