UCSF

ZINC08214612

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) -4.45 -7.87 -412.83 16 12 5 214 468.616 7
Hi High (pH 8-9.5) -4.45 -9.81 -125.6 13 12 2 206 465.592 7
Hi High (pH 8-9.5) -4.45 -9.51 -100.12 13 12 2 206 465.592 7
Mid Mid (pH 6-8) -4.45 -8.13 -272.92 15 12 4 212 467.608 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0480439B1; EP0701704B1; EP0730863A2; EP0730863A3; EP0750226A1; EP0751776A1; EP0763754A3; EP0831845A1; EP0831869A1; EP0871065A1; EP0900576A1; US5198329; US5391471; US5663152; US5710148; US5731007; US5789462; US5814488; US5880111; US6075066; WO1995025287A IBM Patent Data

Activity (Go SEA)

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