UCSF

ZINC35883781

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) -1.02 -0.37 -55.98 7 10 0 186 442.424 2
Hi High (pH 8-9.5) -1.02 -1.38 -108.56 5 10 -2 187 440.408 2
Hi High (pH 8-9.5) -1.75 -0.47 -146.77 5 10 -2 187 440.408 1
Hi High (pH 8-9.5) -1.02 -0.29 -241.95 4 10 -3 190 439.4 2
Hi High (pH 8-9.5) -1.75 -1.7 -64.4 6 10 -1 184 441.416 1
Hi High (pH 8-9.5) -1.75 -0.71 -150.52 5 10 -2 187 440.408 1
Mid Mid (pH 6-8) -1.75 -0.28 -48.9 7 10 0 186 442.424 1
Mid Mid (pH 6-8) -1.02 0.71 -134.98 6 10 -1 188 441.416 2
Mid Mid (pH 6-8) -1.02 -1.28 -142.24 5 10 -2 187 440.408 2
Mid Mid (pH 6-8) -1.60 1.85 -77.3 6 10 0 182 442.424 2
Mid Mid (pH 6-8) -1.02 -2.46 -51.44 6 10 -1 184 441.416 2

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.122 Bitter DB

Activity (Go SEA)

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