UCSF

ZINC38192740

Annotations

Vendors

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) 1.35 6.51 -98.89 0 4 -2 80 198.218 2
Lo Low (pH 4.5-6) 1.35 4.59 -46.26 1 4 -1 77 199.226 2

Vendor Notes

Note Type Comments Provided By
MP 187 TCI

Activity (Go SEA)

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