UCSF

ZINC39141113

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) 1.96 6.12 -108.75 3 2 2 21 172.316 5
Hi High (pH 8-9.5) 1.96 4.15 -30.99 2 2 1 20 171.308 5
Mid Mid (pH 6-8) 1.96 5.04 -29.52 2 2 1 16 171.308 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.