UCSF

ZINC01715842

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) 2.68 1.09 -49.22 2 5 1 52 344.431 5

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.172 Bitter DB
PUBCHEM_PATENT_ID EP0355575A2; EP0355575B1; EP0872903A1; US4018927; US4202980; US4757124; US4758639; US5196164; US5298220; US6096144 IBM Patent Data

Activity (Go SEA)

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