UCSF

ZINC00105279

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) 1.69 4.19 -11.73 3 5 0 73 308.263 3
Hi High (pH 8-9.5) 2.06 3.18 -33.33 3 5 0 82 308.263 3
Hi High (pH 8-9.5) 2.06 3.16 -36.43 3 5 0 82 308.263 3
Hi High (pH 8-9.5) 1.87 4.05 -12.41 3 5 0 76 308.263 3
Mid Mid (pH 6-8) 1.87 4.88 -37.12 4 5 1 78 309.271 3
Lo Low (pH 4.5-6) 1.69 4.34 -39.72 4 5 1 74 309.271 3

Vendor Notes

Note Type Comments Provided By
MP 157-160° Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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

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