UCSF

ZINC03996035

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) 3.80 7.62 -11.61 3 5 0 83 435.564 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0804186A1; US4973601; US5492902; US5541208; WO1999061467A2; WO2000040075A1; WO2000062600A1 IBM Patent Data

Activity (Go SEA)

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