UCSF

ZINC02243733

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) 2.64 -1.39 -37.63 3 3 1 44 250.362 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0753506A1; EP0753506B1; EP0799819A1; EP0983994A2; EP0983994A3; US5733936; US5811582 IBM Patent Data

Activity (Go SEA)

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