UCSF

ZINC02512180

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) 3.13 12.35 -92.9 0 0 2 0 308.386 2
Hi High (pH 8-9.5) 3.13 11.59 -4.7 0 0 0 0 306.37 2
Mid Mid (pH 6-8) 3.13 11.9 -29.86 0 0 1 0 307.378 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 66-76? Alfa-Aesar

Activity (Go SEA)

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

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