UCSF

ZINC04097384

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) 2.08 -2.11 -17.63 3 5 0 94 392.467 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.45e-01 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0029151A2; EP0029924A1; EP0030615A1; EP0033341A1; EP0051278A1; EP0055870A1; EP0104746A1; EP0106453A1; EP0110955A1; EP0110955B1; EP0120557A2; EP0124233A2; EP0129283A2; EP0129284A2; EP0129285A2; EP0129285B1; EP0157567A2; EP0173478A1; EP0173478B1; EP017862 IBM Patent Data

Activity (Go SEA)

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