UCSF

ZINC02015666

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) 4.97 2.83 -34.97 1 1 1 4 246.418 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0174342A1; US4771059; US4933438; US5082853; US5296483; US5780051; US5795909; WO1985003937A1; WO1997041878A1; WO1997044063A2; WO1999030690A1; WO2000050020A2; WO2000053231A2 IBM Patent Data

Activity (Go SEA)

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